Results for:
PubChem ID: 12407

Hexacosane

Mass-Spectra

Compound Details

Synonymous names
HEXACOSANE
HMSWAIKSFDFLKN-UHFFFAOYSA-N
Hexacosane, analytical standard
n-Hexacosane
Pentacosane, methyl-
AC1L1ZJ6
ACMC-1B86Y
Hexacosane, 99%
CTK1J1456
HSDB 8356
NSC122457
LP001857
DTXSID7060883
ZINC6920419
CHEBI:32940
TL8004355
TRA0009058
CC-32781
AN-22073
ANW-34505
C-24726
LMFA11000576
MFCD00009354
RTR-021693
NSC-122457
NSC 122457
TR-021693
DB-054366
AKOS015902503
FT-0626959
I14-19388
630-01-3
CH3-[CH2]24-CH3
EINECS 211-124-1
69088-85-3
CC0EF1C1-42C8-4428-AB5A-41E9C6A177E7
Microorganism:

Yes

IUPAC namehexacosane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC
InchiInChI=1S/C26H54/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3
FormulaC26H54
PubChem ID12407
Molweight366.718
LogP12.02
Atoms80
Bonds79
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkanes

mVOC Specific Details

Volatilization
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)
Solubility
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
Soil Adsorption
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)
Vapor Pressure
PressureReference
4.69X10-07 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
BacteriaBacillus Megaterium USB2103narhizosphere of bean plants, southern ItalyGiorgio et al., 2015
BacteriaPseudomonas Putida USB2105narhizosphere of bean plants, southern ItalyGiorgio et al., 2015
FungiTuber Mesentericumn/aFortywoodland of the Basilicata regionMauriello et al., 2004
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacillus Megaterium USB2103King's B AgarSPME-GC/MSNo
BacteriaPseudomonas Putida USB2105King's B AgarSPME-GC/MSNo
FungiTuber Mesentericumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)