Results for:
PubChem ID: 12407

Hexacosane

Mass-Spectra

Compound Details

Synonymous names
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
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
Molweight366.7
LogP13.7
Atoms26
Bonds23
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkanes saturated hydrocarbons
CHEBI-ID32940
Supernatural-IDSN0129821

mVOC Specific Details

Boiling Point
DegreeReference
415 °C peer reviewed
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
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas TaiwanensisAntifungal actifityrhizosphereJishma et al. 2017
ProkaryotaPseudomonas TaiwanensisAntifungalrhizosphereJishma et al. 2017
EukaryotaTuber Mesentericumn/aFortywoodland of the Basilicata regionMauriello et al. 2004
ProkaryotaBacillus Megateriumnarhizosphere of bean plants, southern ItalyGiorgio et al. 2015
ProkaryotaPseudomonas Putidanarhizosphere of bean plants, southern ItalyGiorgio et al. 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas TaiwanensisNBGS-MSno
ProkaryotaPseudomonas TaiwanensisMR-VP brothGS-MSno
EukaryotaTuber Mesentericumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
ProkaryotaBacillus MegateriumKing's B AgarSPME-GC/MSno
ProkaryotaPseudomonas PutidaKing's B AgarSPME-GC/MSno