Hexadecane_RamanathanGurudeeban

HEXADECANE

Hexadekan

DCAYPVUWAIABOU-UHFFFAOYSA-N

hexadecan

Cetane

Zetan

Hexadecane, analytical standard

Cetan

cetyl group

n-Hexadecane

n-Cetane

AC1L1WFB

R16

Pentadecane, methyl-

HEXADECAN-2-YL

F8Z00SHP6Q

U573

Hexadecane, >=99%

KSC271E3R

NSC7334

UNII-F8Z00SHP6Q

ACMC-209lgv

S0288

QSPL 078

S0555

QSPL 116

QSPL 025

CTK1H1238

CHEMBL134994

RP27667

UNII-CI87N1IM01 component DCAYPVUWAIABOU-UHFFFAOYSA-N

Hexadecane, anhydrous, >=99%

UNII-J3N6X3YK96 component DCAYPVUWAIABOU-UHFFFAOYSA-N

HSDB 6854

CCRIS 5833

Reference Material for Flash Point Certified by The Japan Petroleum Institute, Hexadecane

LP002446

LP006564

LP092566

NSC-7334

NSC 7334

DTXSID0027195

STL453674

AK175856

DSSTox_CID_7195

CHEBI:45296

A830206

DSSTox_GSID_27195

SC-81482

CC-29261

TRA0076953

ANW-32093

LS-74826

AN-21365

UNII-FW7807707B component DCAYPVUWAIABOU-UHFFFAOYSA-N

ZINC38141452

MFCD00008998

LMFA11000577

DSSTox_RID_78343

C-28205

ST51056605

AI3-06522

DB-052582

RTR-019265

TR-019265

AKOS025212855

S14-1134

Hexadecane, ReagentPlus(R), 99%

FT-0632360

BRN 1736592

Tox21_300485

n-Hexadecane, 95% 1gal

544-76-3

Hexadecane, Vetec(TM) reagent grade, 98%

NCGC00164132-02

Hexadecane, p.a., 99%

NCGC00254306-01

NCGC00164132-01

CH3-[CH2]14-CH3

EINECS 208-878-9

CAS-544-76-3

MolPort-001-779-919

Hexadecane, purum, >=98.0% (GC)

4-01-00-00537 (Beilstein Handbook Reference)

5166841B-BF92-4A7D-8CEF-0B01B374ED0E

InChI=1/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H

The Henry's Law constant for hexadecane is estimated as 21 atm-cu m/mole(SRC) derived from its vapor pressure, 0.00149 mm Hg(1), and water solubility, 2.1X10-5 mg/L(2). This Henry's Law constant indicates that hexadecane 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 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 approximately 24 months if adsorption is considered(4). n-Hexadecane's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Hexadecane 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. Taylor & Francis, Washington, DC (1999) (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)

Using a structure estimation method based on molecular connectivity indices(1), the Koc of hexadecane can be estimated to be 53,000(SRC). According to a classification scheme(2), this estimated Koc value suggests that hexadecane is expected to be immobile in soil(SRC). From the experimental value of Freundlich adsorption constants and organic carbon contents in three Canadian soils (Wendover 16.2% OC; Vaudreil 10.0% OC; Grimsby 1.0% OC)(3), Koc values can be estimated to be in the range of approximately 50-400(SRC). The experimental data of other investigators suggest that less than 20% of hexadecane from solution is adsorbed in soil, sludge and sediment(4-6). However, in all the adsorption experiments(3-6), the concentration of hexadecane solution used for the adsorption study far exceeded the aqueous solubility of hexadecane making the results questionable(SRC).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of Nov 17, 2015: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 23 (1983) (3) Nathwani JS, Phillips CR; Chemosphere 6: 157-62 (1977) (4) Meyers PA, Quinn JG; Nature 244: 23-4 (1973) (5) Kanatharana P, Grob RL; J Environ Sci Health A18: 59-77 (1985) (6) Lee RF; pp. 611-6 in Proc 1977 Oil Spill Conf. New Orleans, LA: American Petroleum Institute (1977)