TETRATETRACONTANE

n-Tetratetracontane

7098-22-8

FPX2NM4VIT

NSC-102262

Tetratetracontane, analytical standard

EINECS 230-407-0

NSC 102262

UNII-FPX2NM4VIT

Tetratetracontane, 99%

AI3-36493

DTXSID5058640

CHEBI:84289

MFCD00015268

NSC102262

AKOS015902653

AS-81740

Tetratetracontane, purum, >=95.0% (GC)

NS00043167

T72862

Tetratetracontane; NSC 102262; n-Tetratetracontane

Q20890372

1208B570-4CB6-48FD-9F3F-67129C995357

Tetratetracontane (C44) 1000 microg/mL in Carbon Disulfide

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)

5654-86-4

Cyclo(Pro-Leu)

3-Isobutylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione

Cyclo(leucyloprolyl)

3-(2-methylpropyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-(2-methylpropyl)-

3-isobutyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

Cyclo(leucylprolyl)

3-(2-methylpropyl)-octahydropyrrolo[1,2-a]piperazine-1,4-dione

Pyrrolo(1,2-a)pyrazine-1,4-dione, hexahydro-3-(2-methylpropyl)-

KQV8MY059B

EINECS 220-710-6

BRN 0085716

Cyclo(proline-leucine)

Cyclo-L-prolyl-L-leucine

UNII-KQV8MY059B

SCHEMBL168687

ACon0_000484

ACon1_000716

DTXSID40905040

CHEBI:228605

SZJNCZMRZAUNQT-UHFFFAOYSA-N

(3S-trans)-Hexahydro-3-isobutylpyrrolo(1,2-a)pyrazine-1,4-dione

HY-N8743

AKOS030530554

Pyrrolo(1,2-a)pyrazine-1,4-dione, hexahydro-3-isobutyl-, stereoisomer

FS-6951

MCULE-7309352833

Pyrrolo(1,2-a)pyrazine-1,4-dione, hexahydro-3-(2-methylpropyl)-, (3S-trans)-

NCGC00169428-01

1ST15443

CS-0148997

EN300-9434147

5-24-07-00347 (Beilstein Handbook Reference)

A876644

BRD-A04763029-001-01-1

3-(2-methylpropyl)-octahydropyrrolo[1,2-a]pyrazine-1,4-dione

3-(2-METHYLPROPYL)-HEXAHYDROPYRROLO[1,2-A]PYRAZINE-1,4-DIONE

Cyclo(Pro-Leu)Cyclo(leucyloprolyl); Cyclo(leucylprolyl); 3-(2-methylpropyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

14705-60-3

Cyclo(Phe-Pro)

Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-(phenylmethyl)-

Cyclo(D-phenylalanyl-L-prolyl)

Cyclo(phenylalanylprolyl)

Cyclo(L-prolyl-D-phenylalanyl)

A 64863

3-benzyl-octahydropyrrolo[1,2-a]pyrazine-1,4-dione

3-benzyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

3-Benzylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione

Pyrrolo(2,1-f)pyrazine-1,4-dione, 2,3,6,7,8,8a-hexahydro-3-(phenylmethyl)-

NSC646119

PYRROLO[1,2-A]PYRAZINE-1,4-DIONE,HEXAHYDRO-3-(PHENYLMETHYL)-

Phe-pro-diketopiperazine

MFCD00038604

L-Phe-D-Pro lactam

NSC 255998

(3S-trans)-3-Benzylhexahydropyrrolo(1,2-a)pyrazine-1,4-dione

SCHEMBL173749

Cyclo-Phe-Pro-diketopiperazine

MEGxm0_000490

CHEMBL1990465

ACon0_001420

DTXSID30933019

(3R,8aS)-3-benzyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

CHEBI:201642

QZBUWPVZSXDWSB-UHFFFAOYSA-N

A-64863Cyclo(phenylalanylprolyl)

BCP32901

HY-P1934

EINECS 223-047-0

NSC255998

3-(Phenylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo(2,1-f)pyrazine-1,4-dione

AKOS015999981

MCULE-5108475207

NSC-255998

NSC-646119

NCGC00380633-02

AS-71116

NCI60_015870

SY045657

DB-049055

CS-0064705

NS00097186

D92888

Cyclo(-Phe-Pro);Cyclo-L-phenylalanyl-L-proline

A-64863

A929346

3-Benzylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione #

3-BENZYL-HEXAHYDROPYRROLO[1,2-A]PYRAZINE-1,4-DIONE

Pyrrolo[1,4-dione, hexahydro-3-(phenylmethyl)-, (3R-cis)-

3-Benzyl-1-hydroxy-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazin-4(3H)-one

Pyrrolo(1,2-a)pyrazine-1,4-dione, hexahydro-3-(phenylmethyl)-, (3R-cis)-

NCGC00380633-02_C14H16N2O2_Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-(phenylmethyl)-

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)

DODECANE

n-Dodecane

112-40-3

Dihexyl

Bihexyl

Adakane 12

93685-81-5

N-Dodecan

Duodecane

Ba 51-090453

NSC 8714

CCRIS 661

dodecan

Dodekan

HSDB 5133

EINECS 203-967-9

UNII-11A386X1QH

BRN 1697175

DTXSID0026913

CHEBI:28817

11A386X1QH

NSC-8714

DTXCID906913

EC 203-967-9

4-01-00-00498 (Beilstein Handbook Reference)

93924-07-3

Undecane, methyl-

n-Dodecan [German]

CH3-(CH2)10-CH3

CH3-[CH2]10-CH3

Hydrocarbons, C4,1,3-butadiene-free, polymd., triisobutylene fraction, hydrogenated

129813-67-8

D12

normal dodecane

Normal Paraffin M

EINECS 297-629-8

EINECS 300-199-7

MFCD00008969

Norpar 13

Dodecane, 99%

Alkane C(12)

1-DODECANE

DODECANE [HSDB]

DODECANE [INCI]

C12-N-ALKANE

EC 300-199-7

Dodecane(mixture of isomers)

Dodecane, analytical standard

CHEMBL30959

Density Standard 749 kg/m3

Dodecane, anhydrous, >=99%

WLN: 12H

CH3(CH2)10CH3

NSC8714

Tox21_303615

Dodecane, ReagentPlus(R), >=99%

LMFA11000004

STL280320

Dodecane, technical, >=90% (GC)

AKOS015904160

MCULE-3947157412

NCGC00166012-01

NCGC00257481-01

CAS-112-40-3

DA-16704

LS-14163

CS-0152244

D0968

NS00009666

D5580 n-Dodecane, 1.5% w/w in Isooctane

C08374

Q150744

1310FACD-F2BF-4FD7-BC20-B21DF06EDE79

J-002767

Dodecane, certified reference material, TraceCERT(R)

F0001-0259

Density Standard 749 kg/m3, H&D Fitzgerald Ltd. Quality

InChI=1/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H

The Henry's Law constant for dodecane is estimated as 8.2 atm-cu m/mole(SRC) derived from its vapor pressure, 0.135 mm Hg(1), and water solubility, 3.7X10-3 mg/L(2). This Henry's Law constant indicates that dodecane 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 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 32 days if adsorption is considered(4). Dodecane's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Dodecane is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Kertes AS; Hydrocarbons with Water and Seawater Part II. Hydrocarbons C8 to C31. Solubility Data Series Vol 38. Shaw PC, ed., London, UK: Pergamon Press, 553 pp (1989) (2) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data, Amer Inst Chem Eng. New York, NY: Hemisphere Pub Corp 5 Vol (1994) (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)

Using a structure estimation method based on molecular connectivity indices(1), the Koc of dodecane can be estimated to be 4800(SRC). According to a classification scheme(2), this estimated Koc value suggests that dodecane is expected to have slight mobility in soil. In a study conducted to mimic a spill of 1.27 L/sq m, dodecane (present in JP-4 jet fuel) was transported to a depth of 10 cm; at the end of the study (134 days), it was no longer detected(3). In another study, it was determined that dodecane is slowly intercalated into well dried montmorillonite clay(4).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Aug 25, 2016: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 17-28 (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 Res Corp. pp. 173 (1982) (4) Eltantawy IM, Arnold PW; Nature (London) Phys Sci 237: 123-25 (1972)

Tetradecane

629-59-4

N-TETRADECANE

Tetradecane, N-

CCRIS 715

Tetradekan

HSDB 5728

EINECS 211-096-0

NSC 72440

BRN 1733859

DTXSID1027267

UNII-03LY784Y58

CHEBI:41253

AI3-04240

MFCD00008986

NSC-72440

03LY784Y58

DTXCID707267

90622-46-1

EC 211-096-0

4-01-00-00520 (Beilstein Handbook Reference)

74664-93-0

Tridecane, methyl-

Tetradecane, analytical standard

CH3-(CH2)12-CH3

CH3-[CH2]12-CH3

Tetradecane olefine

EINECS 292-448-0

Tetradecane, 99%

n-Tetradecane 10 microg/mL in Hexane

Tetradecane, >=99%

TETRADECANE [INCI]

N-TETRADECANE [HSDB]

Tetradecane_GurudeebanSatyavani

CHEMBL135488

DTXSID101022622

NSC72440

Tox21_303277

LMFA11000586

STL280540

AKOS004910010

HY-W094846

MCULE-7442374993

NCGC00257151-01

AS-56340

CAS-629-59-4

SY010359

DB-054348

CS-0146758

NS00010784

T0079

Tetradecane, olefine free, >=99.0% (GC)

G68413

Q150808

C72FCDE9-545A-4C7D-9907-1DFACCF43A82

Tetradecane, certified reference material, TraceCERT(R)

The Henry's Law constant for n-tetradecane is estimated as 11.9 atm-cu m/mole(SRC) derived from its vapor pressure, 0.015 mm Hg(1), and water solubility, 0.00033 mg/L(2). This Henry's Law constant indicates that n-tetradecane 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 5.6 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is 28 months if adsorption is considered(4). n-Tetradecane's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). n-Tetradecane is not expected to volatilize from dry soil surfaces based upon its vapor pressure(SRC).
Literature: (1) Haynes WM, ed; CRC Handbook of Chemistry and Physics. 95th ed. Boca Raton, FL: CRC Press LLC, p. 15-21 (2014) (2) Coates M et al; Environ Sci Technol 19: 628-32 (1985) (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, 3.3X10-4 mg/L at 25 deg C
Literature: Coates M et al; Environ Sci Technol 19: 628-32 (1985)
Literature: #Very soluble in ether; soluble in carbon tetrachloride
Literature: Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-498
Literature: #Soluble in alcohol
Literature: Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 1218

Using a structure estimation method based on molecular connectivity indices(1), the Koc of n-tetradecane can be estimated to be 16,000(SRC). According to a classification scheme(2), this estimated Koc value suggests that n-tetradecane is expected to be immobile in soil. Laboratory soil column elution experiments showed that the percent of n-tetradecane adsorbed to three different native soil types ranged from 2.2-5.98%(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) Kanatharana P, Grob RL; J Environ Sci Health A18: 59-77 (1983)