Results for:
PubChem ID: 12388

Tridecane

Mass-Spectra

Compound Details

Synonymous names
Tridecane_GurudeebanSatyavani
IIYFAKIEWZDVMP-UHFFFAOYSA-N
tridecan
Tridekan
Tridecane
tridecyl group
N-TRIDECANE
TRD
Tridecane, analytical standard
AC1L1ZHL
AC1Q28TY
Dodecane, methyl-
KSC353S8D
U393
Tridecane, >=99%
TRIDECANE, N-
C13H28
CTK2F3981
A3LZF0L939
S0285
CHEMBL135694
ACMC-209t6w
NSC66205
UNII-A3LZF0L939
HSDB 5727
LTBB002872
C13834
DTXSID6027266
STL301147
UNII-114P5I43UJ component IIYFAKIEWZDVMP-UHFFFAOYSA-N
AK115985
LP067635
LP001425
ZINC1693738
CHEBI:35998
DSSTox_CID_7266
ANW-42102
CC-33178
Tridecane, 99.0%
DSSTox_GSID_27266
TRA0008560
TL8004327
SC-74775
NSC-66205
NSC 66205
AN-22061
LMFA11000001
DSSTox_RID_78377
C-28190
MFCD00008979
UNII-FW7807707B component IIYFAKIEWZDVMP-UHFFFAOYSA-N
RT-000404
ST24031950
LS-157141
DB-054344
AKOS016011009
FT-0082500
FT-0632663
I14-59696
Tox21_303043
629-50-5
NCGC00257175-01
MCULE-7749861366
CAS-629-50-5
CH3-[CH2]11-CH3
EINECS 211-093-4
MolPort-003-933-018
757DB156-6441-49B0-A824-1532074AC0F6
InChI=1/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H
Microorganism:

Yes

IUPAC nametridecane
SMILESCCCCCCCCCCCCC
InchiInChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3
FormulaC13H28
PubChem ID12388
Molweight184.367
LogP6.24
Atoms41
Bonds40
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationAlkanes

mVOC Specific Details

Volatilization
The Henry's Law constant for n-tridecane is estimated as 1.94 atm-cu m/mole(SRC) derived from its vapor pressure, 0.0375 mm Hg(1), and water solubility, 0.0047 mg/L(2). This Henry's Law constant indicates that n-tridecane 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 5.4 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 18 months if adsorption is considered(4). n-Tridecane's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). n-Tridecane is not expected to volatilize from dry soil surfaces based upon its vapor pressure(SRC).
Literature: (1) Haynes WM, ed; CRC Handbook of Chemistry and Physics. 95th ed., Boca Raton, FL: CRC Press LLC, p. 15-21 (2014) (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)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of n-tridecane can be estimated to be 8800(SRC). According to a classification scheme(2), this estimated Koc value suggests that n-tridecane is expected to be immobile in soil. In a study conducted to mimic a spill of 1.27 L/sq-m, n-tridecane (present in JP-4 jet fuel) was transported to a depth of 10 cm; at the end of the study (134 days), it was no longer detected(3).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.11. Nov, 2012. Available from, as of Nov 11, 2015: http://www2.epa.gov/tsca-screening-tools (2) Swann RL et al; Res Rev 85: 23 (1983) (3) Ross WD et al; Environmental Fate and Biological Consequences of Chemicals Related to Air Force Activities. NTIS AD-A121 288/5. Dayton,OH: Monsanto Research Corp. pp. 173 (1982)
Vapor Pressure
PressureReference
0.0375 mm Hg at 25 deg CHaynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 15-21
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaAzospirillum Brasilense Cdpromotion of performance of Chlorella sorokiniana Shihculture collection DSMZ 1843Amavizca et al. 2017
BacteriaBacillus Pumilus ES4promotion of performance of Chlorella sorokiniana ShihAmavizca et al. 2017
BacteriaEscherichia Coli DH5apromotion of performance of Chlorella sorokiniana ShihAmavizca et al. 2017
BacteriaMyxobacterium Spp.n/aDickschat et al., 2004
BacteriaPaenibacillus Polymyxa E681n/aLee et al., 2012
BacteriaPaenibacillus Sp. P4narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al., 2014
BacteriaPseudomonas Simiae AUnarhizosphere of a soybean field in the province of Rajasthan, IndiaVaishnav et al., 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaAzospirillum Brasilense CdTSASPME-GCno
BacteriaBacillus Pumilus ES4TSASPME-GCno
BacteriaEscherichia Coli DH5aTSASPME-GCno
BacteriaMyxobacterium Spp.n/an/a
BacteriaPaenibacillus Polymyxa E681Tryptic soy agarSPME coupled with GC-MS
BacteriaPaenibacillus Sp. P4sand containing artificial root exudatesGC/MSNo
BacteriaPseudomonas Simiae AUNutrient broth; King's B agarGC/MSNo