Results for:
PubChem ID: 14257

Undecane

Mass-Spectra

Compound Details

Synonymous names
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
Microorganism:

Yes

IUPAC nameundecane
SMILESCCCCCCCCCCC
InchiInChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3
FormulaC11H24
PubChem ID14257
Molweight156.31
LogP5.6
Atoms11
Bonds8
H-bond Acceptor0
H-bond Donor0
Chemical Classificationsaturated hydrocarbons alkanes
CHEBI-ID46342
Supernatural-IDSN0333997

mVOC Specific Details

Boiling Point
DegreeReference
195.9 °C peer reviewed
Volatilization
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)
Solubility
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
Soil Adsorption
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)
Vapor Pressure
PressureReference
0.412 mm Hg at 25 deg CDaubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1999)
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaKlebsiella PneumoniaeNANAZechman et al. 1986
ProkaryotaPseudomonas AeruginosaNANAZechman et al. 1986
EukaryotaPythium OligandrumN/APythium oligandrum GAQ1 strain was isolated from soil from a field where infected ginger was growing in Laiwu district, Jinan City, Shandong Province, China. China General Microbiological Culture Collection Center (CGMCC) deposit number No. 17470.Sheikh et al. 2023
ProkaryotaPseudomonas FluorescensPlant growth promotion and ISRrhizosphereJishma et al. 2017
ProkaryotaPseudomonas MonteiliiPlant growth promotionrhizosphereJishma et al. 2017
ProkaryotaPseudomonas RhodesiaePlant growth promotion and ISRrhizosphereJishma et al. 2017
ProkaryotaPseudomonas TaiwanensisPlant growth promotion and ISRrhizosphereJishma et al. 2017
ProkaryotaPseudomonas ProtegensNAMannaa et al. 2018
ProkaryotaPseudomonas Azotoformansstimulate growth of Solanum tuberosumisolate from Irish potato soilsHeenan-Daly et al. 2021
ProkaryotaStaphylococcus EpidermidisAmerican Type Culture CollectionJenkins and Bean 2020
EukaryotaTrichoderma VirideNAHung et al. 2013
ProkaryotaBacillus Amyloliquefaciensn/aNALee et al. 2012
ProkaryotaBacillus Subtilisn/aNALee et al. 2012
ProkaryotaPaenibacillus Polymyxan/aNALee et al. 2012
EukaryotaFusarium Graminearumn/aNABusko et al. 2014
ProkaryotaPseudomonas Fluorescensn/aNAFernando et al. 2005
ProkaryotaPseudomonas Corrugatan/aNAFernando et al. 2005
ProkaryotaPseudomonas Chlororaphisn/aNAFernando et al. 2005
ProkaryotaPseudomonas Aurantiacan/aNAFernando et al. 2005
ProkaryotaSerratia Sp.n/aNABruce et al. 2004
EukaryotaSaccharomyces Cerevisiaen/aNABruce et al. 2004
ProkaryotaPseudomonas Putidan/aNABlom et al. 2011
ProkaryotaBacillus Pumiluspromotion of performance of Chlorella sorokiniana ShihNAAmavizca et al. 2017
ProkaryotaBacillus Subtilistriggers induced systemic resistance (ISR) in ArabidopsisnaRyu et al. 2004
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaKlebsiella PneumoniaeTSBTD/GC-MSno
ProkaryotaPseudomonas AeruginosaTSBTD/GC-MSno
EukaryotaPythium OligandrumV8 juice agarSPME/GC-MS/MSno
ProkaryotaPseudomonas FluorescensNBGS-MSno
ProkaryotaPseudomonas MonteiliiMR-VP brothGS-MSno
ProkaryotaPseudomonas RhodesiaeNBGS-MSno
ProkaryotaPseudomonas TaiwanensisNBGS-MSno
ProkaryotaPseudomonas Protegenstryptic soy broth (TSB)gastight syringe, GC-MSno
ProkaryotaPseudomonas AzotoformansM+S (Murashige and Skoog) mediaSPME/GC-MSno
ProkaryotaStaphylococcus EpidermidisBHI media, LB mediaHS-SPME/GC×GC-TOFMSno
EukaryotaTrichoderma VirideMalt extract agar Headspace volatiles collected with colomn/TD-GC-MSyes
ProkaryotaBacillus AmyloliquefaciensTryptic soy agarSPME coupled with GC-MSno
ProkaryotaBacillus SubtilisTryptic soy agarSPME coupled with GC-MSno
ProkaryotaPaenibacillus PolymyxaTryptic soy agarSPME coupled with GC-MSno
EukaryotaFusarium Graminearumyeast extract sucrose agarSPME/GC-MSno
ProkaryotaPseudomonas Fluorescensn/an/ano
ProkaryotaPseudomonas Corrugatan/an/ano
ProkaryotaPseudomonas Chlororaphisn/an/ano
ProkaryotaPseudomonas Aurantiacan/an/ano
ProkaryotaSerratia Sp.n/an/ano
EukaryotaSaccharomyces Cerevisiaen/an/ano
ProkaryotaPseudomonas PutidaMSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBacillus PumilusTSASPME-GCno
ProkaryotaBacillus SubtilisMurashige and Skoog mediumcapillary GC;GC/MSyes
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno