Results for:
PubChem ID: 12592

Tetracosane

Mass-Spectra

Compound Details

Synonymous names
Lignocerane
TETRACOSANE
POOSGDOYLQNASK-UHFFFAOYSA-N
n-Tetracosane
Tetracosane, analytical standard
AC1L1ZXC
AC1Q28TZ
YQ5H1M1D7I
Tricosane, methyl-
ACMC-1B0GQ
Tetracosane, 99%
KSC357O9B
UNII-YQ5H1M1D7I
C24H50
6714AF
NSC2984
S0296
CTK2F7790
HSDB 8354
LP001499
NSC 2984
NSC-2984
DTXSID8060955
SBB060079
STL301146
ZINC6920417
CHEBI:32936
TRA0079740
TL8004607
AN-20472
ANW-34924
CC-33170
MFCD00009352
LMFA11000585
C-24771
ST51046323
AI3-52698
TR-022119
RTR-022119
DB-054706
AKOS015843189
FT-0632744
n-Tetracosane, 99% 5g
I14-106317
646-31-1
MCULE-5174537376
CH3-[CH2]22-CH3
EINECS 211-474-5
MolPort-003-933-016
0A751D89-FC23-4E63-9FA0-2DD14DA5803E
Microorganism:

Yes

IUPAC nametetracosane
SMILESCCCCCCCCCCCCCCCCCCCCCCCC
InchiInChI=1S/C24H50/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
FormulaC24H50
PubChem ID12592
Molweight338.664
LogP11.13
Atoms74
Bonds73
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkanes

mVOC Specific Details

Volatilization
The Henry's Law constant for tetracosane is estimated as 280 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that tetracosane 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 1.9 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 7.3 days(SRC). However, adsorption to soil 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). Tetracosane is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 4.07X10-6 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 17, 2016: http://www2.epa.gov/tsca-screening-tools (4) US EPA; EXAMS II Computer Simulation (1987) (5) Perry RH, Green D; Perry's Chemical Handbook. Physical and Chemical Data 6th ed., New York, NY: McGraw Hill (1984)
Solubility
In water, 6.44X10-8 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. 1316
Literature: #Slightly soluble in ethanol; very 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. 3-498
Literature: #Soluble in alcohol
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. 1316
Soil Adsorption
The Koc of tetracosane is estimated as 6.5X10+6(SRC), using an estimated log Kow of 12.13(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that tetracosane 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 17, 2016: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
4.07X10-6 mm Hg at 25 deg C (extrapolated)Perry RH, Green D; Perry's Chemical Handbook. Physical and Chemical Data 6th ed., New York, NY: McGraw Hill (1984)
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiTrichoderma Harzianum T-E5 CCTCC AF2012011n/aZhang et al., 2014
FungiSpongiporus Leucomallellusnasaprophytic mostly on wet, old pinesZiegenbein et al., 2006
BacteriaPseudomonas Simiae AUnarhizosphere of a soybean field in the province of Rajasthan, IndiaVaishnav et al., 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiTrichoderma Harzianum T-E5 CCTCC AF2012011Minimal mediaSPME/GC-MS
FungiSpongiporus LeucomallellusnaGC/MSNo
BacteriaPseudomonas Simiae AUNutrient broth; King's B agarGC/MSNo