OCTACOSANE

n-Octacosane

630-02-4

Octacosane, n-

CCRIS 680

UNII-VFF49836P8

VFF49836P8

NSC 5549

NSC-5549

EINECS 211-125-7

AI3-52615

DTXSID6058639

CHEBI:32943

HSDB 8358

CH3-[CH2]26-CH3

MFCD00009355

n-Octacosane 1000 microg/mL in Methanol

Octacosane 1000 microg/mL in Dichloromethane

NSC 5549; n-Octacosane

Octacosane, analytical standard

CH3-(CH2)26-CH3

n-Octcosane

Octacosane, 99%

DTXCID4032326

NSC5549

LMFA11000580

STL453125

AKOS015902504

HY-W272217

MCULE-9551476105

DB-054367

CS-0317451

NS00010789

O0002

D91782

Q3348776

Analytical Reagent, inverted exclamation markY97.0%(GC)

E66BE919-93E8-4101-AB46-9612FE796394

The Henry's Law constant for octacosane is estimated as 870 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that octacosane is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 5.8 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 7.9 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The volatilization half-life from a model pond is greater than 2 years when adsorption is considered(3). Octacosane's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Octacosane is not expected to volatilize from dry soil surfaces(SRC) based upon an extrapolated vapor pressure of 1.60X10-9 mm Hg at 25 deg C(4).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 22, 2016: http://www2.epa.gov/tsca-screening-tools (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) US EPA; EXAMS II Computer Simulation (1987) (4) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989)

In water, 5.6X10-10 mg/L at 25 deg C (est)
Literature: US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 10, 2016: http://www2.epa.gov/tsca-screening-tools
Literature: #Insoluble in water
Literature: Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-424
Literature: #Miscible with acetone, soluble in benzene, chloroform
Literature: Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-424

Using a structure estimation method based on molecular connectivity indices(1), the Koc of octacosane can be estimated to be 7.1X10+7(SRC). According to a classification scheme(2), this estimated Koc value suggests that octacosane is expected to be immobile in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 22, 2016: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 17-28 (1983)

HEXACOSANE

n-Hexacosane

630-01-3

0CI4OKE9VO

Pentacosane, methyl-

CH3-[CH2]24-CH3

MFCD00009354

NSC-122457

Hexacosane, analytical standard

Hexacosane; NSC 122457; n-Hexacosane

EINECS 211-124-1

Hexacosane, 99%

NSC 122457

n-Hexacosane 100 microg/mL in Hexane

HEXACOSANE, N-

UNII-0CI4OKE9VO

DTXSID7060883

CHEBI:32940

HSDB 8356

LMFA11000576

NSC122457

AKOS015902503

AS-56386

DB-054366

CS-0197342

H0050

NS00010788

D90786

Q151016

Trans-4-hydroxyl-lprolinemethyl esterhydrochloride

CC0EF1C1-42C8-4428-AB5A-41E9C6A177E7

The Henry's Law constant for hexacosane is estimated as 490 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that hexacosane is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 5.5 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 7.6 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The volatilization half-life from a model pond is greater than 2 years when adsorption is considered(3). Hexacosane's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Hexacosane is not expected to volatilize from dry soil surfaces(SRC) based upon an extrapolated vapor pressure of 4.69X10-7 mm Hg at 25 deg C(4).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 10, 2016: http://www2.epa.gov/tsca-screening-tools (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) US EPA; EXAMS II Computer Simulation (1987) (4) Perry RH, Green D; Perry's Chemical Handbook. Physical and Chemical data. 6th ed., New York, NY: McGraw-Hill (1984)

In water, 6.2X10-09 mg/L at 25 deg C (est)
Literature: US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 10, 2016: http://www2.epa.gov/tsca-screening-tools
Literature: #Very soluble in benzene, ligroin, chloroform
Literature: Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-292

Using a structure estimation method based on molecular connectivity indices(1), the Koc of hexacosane can be estimated to be 2.1X10+7 (SRC). According to a classification scheme(2), this estimated Koc value suggests that hexacosane is expected to be immobile in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 10, 2016: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 17-28 (1983)

NONADECANE

n-Nonadecane

629-92-5

Nonadekan

UNII-NMY21D3Y5T

NMY21D3Y5T

ISTD

NONADECANE, N-

EINECS 211-116-8

NSC 77136

NSC-77136

AI3-36122

DTXSID9047170

Nonadecane-d40 98 atom % D

CHEBI:32927

HSDB 8349

CH3-[CH2]17-CH3

MFCD00009012

n-Nonadecane 10000 microg/mL in Dichloromethane

Nonadecane, analytical standard

CH3-(CH2)17-CH3

Nonadecane; NSC 77136; n-Nonadecane

nonadecan

N-NONADECANE, 99%

Nonadecane,(S)

Nonadecane, 99%

bmse000764

QSPL 079

DTXCID7027170

NSC77136

LMFA11000578

STK032371

AKOS000487358

MCULE-7331201096

AS-56223

N0282

NS00013026

S0291

D91667

AN-329/40543671

Q150911

5DFF1F48-853A-4CE2-852C-81C871EF1DA6

The Henry's Law constant for nonadecane is estimated as 68 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that nonadecane is expected to volatilize rapidly from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 1.6 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 6.5 days(SRC). However, adsorption to suspended solids and sediment is expected to attenuate volatilization(SRC). The estimated volatilization half-life from a model pond is greater than 2 years if adsorption is considered(4). Nonadecane is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 4.9X10-5 mm Hg(5).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 14, 2016: http://www2.epa.gov/tsca-screening-tools (4) US EPA; EXAMS II Computer Simulation (1987) (5) Yaws Cl; Handbook of Vapor Pressure. Volume 3 - C8 to C28 Compounds. Houston, TX: Gulf Publishing Co. (1994)

In water, 3.7X10-5 mg/L at 25 deg C (est)
Literature: US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 17, 2016: http://www2.epa.gov/tsca-screening-tools
Literature: #Insoluble in water
Literature: Larranaga, M.D., Lewis, R.J. Sr., Lewis, R.A.; Hawley's Condensed Chemical Dictionary 16th Edition. John Wiley & Sons, Inc. Hoboken, NJ 2016., p. 986
Literature: #Slightly soluble in ethanol; soluble in ethyl ether, acetone, carbon tetrachloride
Literature: Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-424
Literature: #Soluble in alcohol and ether
Literature: Larranaga, M.D., Lewis, R.J. Sr., Lewis, R.A.; Hawley's Condensed Chemical Dictionary 16th Edition. John Wiley & Sons, Inc. Hoboken, NJ 2016., p. 986

The Koc of nonadecane is estimated as 3.2X10+5(SRC), using an estimated log Kow of 9.67(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that nonadecane is expected to be immobile in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 14, 2016: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 17-28 (1983)

Pentadecane

N-PENTADECANE

629-62-9

Pentadekan

Pentadecane, n-

HSDB 5729

EINECS 211-098-1

NSC 172781

UNII-16H6K2S8M2

BRN 1698194

DTXSID6027268

CHEBI:28897

16H6K2S8M2

MFCD00008990

NSC-172781

DTXCID107268

EC 211-098-1

CH3-[CH2]13-CH3

4-01-00-00529 (Beilstein Handbook Reference)

n-Pentadecane 100 microg/mL in Acetonitrile

Pentadecane, analytical standard

CH3-(CH2)13-CH3

Pentadecane; NSC 172781; n-Pentadecane

pentadecan

dipentylfumarate

Medicinal Plant

1-Penfadecane,(S)

PENTADECANE (N)

Pentadecane, >=99%

PENTADECANE [INCI]

ghl.PD_Mitscher_leg0.43

N-PENTADECANE [HSDB]

CH3(CH2)13CH3

CHEMBL1234557

UNII: 16H6K2S8M2

Pentadecane_Ramanathan &Gurudeeban

Pentadecane, >=98.0% (GC)

Tox21_300535

LMFA11000006

NSC172781

STL280516

AKOS015902386

MCULE-1292711626

NCGC00164185-01

NCGC00164185-02

NCGC00254392-01

CAS-629-62-9

LS-14458

NS00003105

P0606

C08388

D97801

Q150831

896D4B7E-BF33-4D54-82CE-7360D88E8DC8

The Henry's Law constant for n-pentadecane is estimated as 34.4 atm-cu m/mole(SRC) derived from its vapor pressure, 0.00492 mm Hg(1), and water solubility, 4X10-5 mg/L(2). This Henry's Law constant indicates that n-pentadecane is expected to volatilize rapidly from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 4 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 5.8 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is 30 months if adsorption is considered(4). n-Pentadecane's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). n-Pentadecane is not expected to volatilize from dry soil surfaces based upon its vapor pressure(SRC).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Dhemicals: Data Compilation. Design Institute for Physical Property Data, American Institute of Chemical Engineers. Washington, DC: Taylor & Francis, (1994) (2) Yalkowsky SH et al; Handbook of Aqueous Solubility Data. 2nd ed., Boca Raton, FL: CRC Press, p. 1081 (2010) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) US EPA; EXAMS II Computer Simulation (1987)

In water, 4.0X10-5 mg/L at 25 deg C
Literature: Yalkowsky, S.H., He, Yan, Jain, P. Handbook of Aqueous Solubility Data Second Edition. CRC Press, Boca Raton, FL 2010, p. 806
Literature: #Very soluble in ethyl ether, ethanol
Literature: Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-436

Using a structure estimation method based on molecular connectivity indices(1), the Koc of n-pentadecane can be estimated to be 29,200(SRC). According to a classification scheme(2), this estimated Koc value suggests that n-pentadecane is expected to be immobile in soil. In a study conducted to mimic a spill of 1.27 L/sq-m, n-pentadecane (present in JP-4 jet fuel) was transported to a depth of 50 cm; at the end of the study (134 days), it was still detected(3).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of Nov 11, 2015: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 23 (1983) (3) Ross WD et al; Environmental Fate and Biological Consequences of Chemicals Related to Air Force Activities. NTIS AD-A121 288/5. Dayton,OH: Monsanto Research Corp. pp. 173 (1982)

palmitic acid

Hexadecanoic acid

57-10-3

Cetylic acid

palmitate

n-Hexadecanoic acid

Hexadecylic acid

1-Pentadecanecarboxylic acid

Hydrofol

n-Hexadecoic acid

Palmitinic acid

hexaectylic acid

Pentadecanecarboxylic acid

hexadecoic acid

1-Hexyldecanoic Acid

Industrene 4516

Emersol 140

Emersol 143

Hystrene 8016

Hystrene 9016

Palmitinsaeure

Palmitic acid, pure

Palmitic acid 95%

Kortacid 1698

FEMA No. 2832

Loxiol EP 278

Palmitic acid (natural)

Hydrofol Acid 1690

Cetyl acid

Prifac 2960

C16:0

HSDB 5001

Pristerene 4934

Pristerene-4934

Edenor C16

NSC 5030

AI3-01594

Lunac P 95KC

Lunac P 95

Lunac P 98

CCRIS 5443

Prifac-2960

CHEBI:15756

NSC5030

NSC-5030

EINECS 200-312-9

UNII-2V16EO95H1

FA 16:0

BRN 0607489

Palmitic acid (NF)

DTXSID2021602

Glycon P-45

IMEX C 1498

2V16EO95H1

Hexadecanoic acid (9CI)

MFCD00002747

67701-02-4

Palmitic acid (7CI,8CI)

CHEMBL82293

DTXCID101602

CH3-[CH2]14-COOH

EC 200-312-9

4-02-00-01157 (Beilstein Handbook Reference)

n-hexadecoate

LMFA01010001

PA 900

EDENOR C 16-98-100

FA 1695

SURFAXIN COMPONENT PALMITIC ACID

1-hexyldecanoate

NCGC00164358-01

LUCINACTANT COMPONENT PALMITIC ACID

1219802-61-5

pentadecanecarboxylate

Hexadecanoic acid 10 microg/mL in Acetonitrile

HEXADECANOIC-11,11,12,12-D4 ACID

PALMITIC ACID (II)

PALMITIC ACID [II]

PALMITIC ACID (MART.)

PALMITIC ACID [MART.]

CH3-(CH2)14-COOH

Palmitic acid; Hexadecanoic acid

PLM

palmic acid

Hexadecanoate (n-C16:0)

PALMITIC ACID (EP MONOGRAPH)

PALMITIC ACID [EP MONOGRAPH]

Acid, Palmitic

CAS-57-10-3

Acid, Hexadecanoic

SR-01000944716

Palmitic acid [USAN:NF]

palmitoate

Hexadecoate

Palmitinate

Palmitinsaure

palmitic-acid

palmitoic acid

Hexadecanoicacid

Aethalic acid

Hexadecanoic acid Palmitic acid

2hmb

2hnx

Palmitic acid_jeyam

n-Hexadecyclic Acid

fatty acid 16:0

Palmitic Acid, FCC

Kortacid 1695

Palmitic acid_RaGuSa

Univol U332

Prifrac 2960

Hexadecanoic acid anion

Hexadecanoic--d5 Acid

3v2q

Palmitic acid, >=99%

bmse000590

Epitope ID:141181

CETYL ACID [VANDF]

PALMITIC ACID [MI]

SCHEMBL6177

PALMITIC ACID [DSC]

PALMITIC ACID [FCC]

PALMITIC ACID [FHFI]

PALMITIC ACID [HSDB]

PALMITIC ACID [INCI]

PALMITIC ACID [USAN]

FAT

WLN: QV15

1-MONOPALMITIN_met001

P5585_SIGMA

PALMITIC ACID [VANDF]

GTPL1055

QSPL 166

PALMITIC ACID [USP-RS]

PALMITIC ACID [WHO-DD]

(1(1)(3)C)hexadecanoic acid

1b56

HMS3649N08

Palmitic acid, analytical standard

Palmitic acid, BioXtra, >=99%

Palmitic acid, Grade II, ~95%

HY-N0830

Palmitic acid, natural, 98%, FG

Tox21_112105

Tox21_201671

Tox21_302966

AC9381

BBL011563

BDBM50152850

s3794

STL146733

Palmitic acid, >=95%, FCC, FG

AKOS005720983

Tox21_112105_1

CCG-267027

CR-0047

DB03796

MCULE-1361949901

Palmitic acid, for synthesis, 98.0%

NCGC00164358-02

NCGC00164358-03

NCGC00256424-01

NCGC00259220-01

BP-27917

Palmitic acid, purum, >=98.0% (GC)

SY006518

CS-0009861

NS00008548

P0002

P1145

Palmitic acid, SAJ first grade, >=95.0%

EN300-19603

C00249

D05341

Palmitic acid, Vetec(TM) reagent grade, 98%

PALMITIC ACID (CONSTITUENT OF SPIRULINA)

Palmitic acid, >=98% palmitic acid basis (GC)

A831313

Q209727

PALMITIC ACID (CONSTITUENT OF FLAX SEED OIL)

PALMITIC ACID (CONSTITUENT OF SAW PALMETTO)

SR-01000944716-1

SR-01000944716-2

BA71C79B-C9B1-451A-A5BE-B480B5CC7D0C

PALMITIC ACID (CONSTITUENT OF BORAGE SEED OIL)

PALMITIC ACID (CONSTITUENT OF SPIRULINA) [DSC]

F0001-1488

Z104474418

PALMITIC ACID (CONSTITUENT OF EVENING PRIMROSE OIL)

PALMITIC ACID (CONSTITUENT OF SAW PALMETTO) [DSC]

Palmitic acid, certified reference material, TraceCERT(R)

Palmitic acid, European Pharmacopoeia (EP) Reference Standard

Palmitic acid, United States Pharmacopeia (USP) Reference Standard

Palmitic acid, Pharmaceutical Secondary Standard; Certified Reference Material

Sodium Palmitate, Palmitic acid sodium salt, Sodium hexadecanoate, Sodium pentadecanecarboxylate, HSDB 759

An estimated pKa of 4.7(1) for palmitic acid indicates palmitic acid will exist almost entirely in the anion form at pH values of 5 to 9 and therefore volatilization from water surfaces is not expected to be an important fate process(2). Palmitic acid is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 3.8X10-7 mm Hg(3).
Literature: (1) SPARC; pKa/property server. Ver 3. Jan, 2006. Available at http://ibmlc2.chem.uga.edu/sparc/ as of Mar 7, 2008. (2) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000) (3) Daubert TE, Danner RP; Physical & Thermodynamic Properties of Pure Chemicals 4 NY: Hemisphere Pub Corp (1989)

The Koc of undissociated palmitic acid is estimated as 189,000(SRC), using a log Kow of 7.17(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that undissociated palmitic acid is expected to be immobile in soil. The estimated pKa of palmitic acid is 4.7(4), indicating that this compound will exist almost entirely in the anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(5).
Literature: (1) Sangster J; LOGKOW Databank. Sangster Res Lab Montreal Quebec, Canada (1994) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) SPARC; pKa/property server. Ver 3. Jan, 2006. Available at http://ibmlc2.chem.uga.edu/sparc/ as of Mar 7, 2008. (5) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)

Undecane

N-UNDECANE

1120-21-4

Hendecane

n-Hendecane

CCRIS 3796

Hendekan

Undekan

HSDB 5791

UNII-JV0QT00NUE

JV0QT00NUE

EINECS 214-300-6

NSC 66159

BRN 1697099

DTXSID9021689

CHEBI:46342

AI3-21126

UNDECANE, N-

NSC-66159

DTXCID301689

EC 214-300-6

4-01-00-00487 (Beilstein Handbook Reference)

Decane, methyl-

MFCD00008959

61193-21-3

Undecane, >=99%

Undecane, analytical standard

CH3-(CH2)9-CH3

CH3-[CH2]9-CH3

UND

HALPACLEAN

UN2330

undecan

Undecane, 99%

NIKKO ELACE

UNDECANE [INCI]

Undecane [UN2330] [Flammable liquid]

N-UNDECANE [HSDB]

UNII: JV0QT00NUE

CHEMBL132474

QSPL 058

n-C11H24

HY-N8593

NSC66159

Tox21_300076

LMFA11000591

AKOS005145675

MCULE-7319807036

UN 2330

NCGC00247896-01

NCGC00254001-01

LS-14030

CAS-1120-21-4

DB-041031

CS-0148678

NS00004614

U0002

Q150731

J-002689

17398EC4-D16F-42F6-8A27-60F8EC075469

InChI=1/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H

The Henry's Law constant for n-undecane is estimated as 6.1 atm-cu m/mole(SRC) derived from its vapor pressure, 0.412 mm Hg(1), and water solubility, 0.014 mg/L(2). This Henry's Law constant indicates that n-undecane is expected to volatilize rapidly from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 3.6 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 5 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is about 1 month if adsorption is considered(4). n-Undecane's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). n-Undecane is not expected to volatilize from dry soil surfaces based upon its vapor pressure(SRC).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1999) (2) Shaw DG; Hydrocarbons with Water and Seawater. Part II: Hydrocarbons C8 to C36. International Union of Pure and Applied Chemistry. Solubility Data Series. Vol 38 p. 326 (1989) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington,DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) USEPA; EXAMS II Computer Simulation (1987)

In water, 0.014 mg/L at 25 deg (critical evaluation of all available data)
Literature: Shaw DG; Hydrocarbons with Water and Seawater. Part II: Hydrocarbons C8 to C36. International Union of Pure and Applied Chemistry. Solubility Data Series. Vol 38 p. 326 (1989)
Literature: #In water, 0.0044 mg/L at 25 deg C
Literature: Yalkowsky, S.H., He, Yan, Jain, P. Handbook of Aqueous Solubility Data Second Edition. CRC Press, Boca Raton, FL 2010, p. 806
Literature: #Miscible with ethyl alcohol, ether
Literature: Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-544

Using a structure estimation method based on molecular connectivity indices(1), the Koc of n-undecane can be estimated to be 2,600(SRC). According to a classification scheme(2), this estimated Koc value suggests that n-undecane is expected to have slight mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of Nov 16, 2015: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 23 (1983)

HEPTADECANE

n-Heptadecane

629-78-7

Heptadekan

n-Heptadecane (d36)

H7C0J39XUM

DTXSID7047061

CHEBI:16148

MFCD00009002

NSC-172782

Hexadecane, methyl-

Heptadecane, analytical standard

EINECS 211-108-4

UNII-H7C0J39XUM

NSC 172782

BRN 1738898

AI3-36898

Heptadecane purum

Normal-heptadecane

PJ8

Heptadecane, 99%

Analytical Reagent,95.0%

4-01-00-00548 (Beilstein Handbook Reference)

CHEMBL3185332

DTXCID5027061

Samarium(III)ChlorideHexahydrate

HSDB 8347

CH3-[CH2]15-CH3

Tox21_302278

LMFA11000003

NSC172782

STL355860

AKOS000487450

MCULE-3718944215

Heptadecane, purum, >=98.0% (GC)

NCGC00256101-01

AS-56326

CAS-629-78-7

DB-054356

CS-0197341

H0023

NS00012511

C01816

D97702

Heptadecane; NSC 172782; TS 7; n-Heptadecane

Q150888

43B472DE-3A6B-4855-8457-9D679B0D1C87

InChI=1/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H

The Henry's Law constant for heptadecane is estimated as 3.1X10-2 atm-cu m/mole(SRC) derived from its vapor pressure, 2.28X10-4 mm Hg(1), and water solubility, 2.3X10-3 mg/L(2). This Henry's Law constant indicates that heptadecane is expected to volatilize from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(4) is estimated as 1.6 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(4) is estimated as 6.2 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is greater than 2 years if adsorption is considered(5). Heptadecane's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Heptadecane is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989) (2) WakehamSG et al; Canadian J Fish Aquat Sci 40: 304-21 (1983) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 14, 2016: http://www2.epa.gov/tsca-screening-tools (5) US EPA; EXAMS II Computer Simulation (1987)

In water, 2.3X10-3 mg/L at 25 deg C
Literature: Wakeham SG ET al; Canadian J Fish Aqua Sci 40: 304-21 (1983)
Literature: #Insoluble in water
Literature: Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-388
Literature: #Slightly soluble in ethanol, carbon tetrachloride; soluble in ethyl ether
Literature: Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-288

The Koc of heptadecane is 2.5X10+5(1). According to a classification scheme(2), this Koc value suggests that heptadecane is expected to be immobile in soil.
Literature: (1) Wakeham SG et al; Canadian J Fish Aqua Sc 40: 304-21 (1983) (2) Swann RL et al; Res Rev 85: 17-28 (1983)