Results for:
PubChem ID: 11610

Hept-1-ene

Mass-Spectra

Compound Details

Synonymous names
ZGEGCLOFRBLKSE-UHFFFAOYSA-N
Heptylene
HEPTENE
n-Heptene
AC1Q2VPB
1-HEPTENE
Heptene (petroleum)
AC1L1XQ9
.alpha.-Heptylene
1-Heptene, analytical standard
1-n-Heptene
Hept-1-ene
UN2278
CTK1H3107
S0337
STR07011
NSC74130
NE10660
RP18656
ACMC-1B032
O748KJ11V7
n-Hept-1-ene
HSDB 1078
SBB059882
LP031216
OR022850
1-C7H14
DTXSID2060466
ZINC1699515
UNII-O748KJ11V7
AN-17739
1-Heptene, >=99%
TRA0077952
NSC-74130
NSC 74130
AN-21549
ANW-42069
LS-74578
CJ-28600
Heptene (mixed cis and trans)
MFCD00009531
LMFA11000319
ZINC01699515
1-Heptene, 97%
ST51046147
TR-020568
RTR-020568
DB-053357
AKOS009031489
FT-0632465
I14-19270
592-76-7
MCULE-5868303078
EINECS 209-767-8
EINECS 271-209-4
EINECS 246-871-2
MolPort-001-756-619
n-Heptene [UN2278] [Flammable liquid]
79604-EP2270113A1
79604-EP2272935A1
79604-EP2295418A1
79604-EP2305696A2
79604-EP2305698A2
n-Heptene [UN2278] [Flammable liquid]
IUPAC namehept-1-ene
SMILESCCCCCC=C
InchiInChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3
FormulaC7H14
PubChem ID11610
Molweight98.189
LogP3.27
Atoms21
Bonds20
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkenes

mVOC Specific Details

Volatilization
The Henry's Law constant for 1-heptene is estimated as 0.421 atm-cu m/mole(SRC) from its vapor pressure of 59.3 mm Hg(1) and water solubility of 18.2 mg/l at 25 deg C(2). This Henry's Law constant indicates that 1-heptene 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)(2) is estimated as 3 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 94 hours(SRC). 1-Heptene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of 1-heptene from dry soil surfaces may exist(SRC) based upon the vapor pressure of this compound(1).
Literature: (1) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation Washington,DC: Taylor and Francis (1989) (2) Yalkowsky SH, Dannenfelser RM; Aquasol Database of Aqueous Solubility. Version 5. College of Pharmacy, University of Arizona - Tucson, AZ (1992) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington,DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Solubility
Soluble in ethanol and ether; slightly soluble in carbon tetrachloride
Literature: Lide, D.R. (ed.). CRC Handbook of Chemistry and Physics. 79th ed. Boca Raton, FL: CRC Press Inc., 1998-1999., p. 3-181
Literature: #In water, 18.2 mg/l @ 25 deg C
Literature: Yalkowsky SH, Dannenfelser RM; The AQUASOL dATAbASE of Aqueous Solubility. Fifth ed, Tucson, AZ: Univ Az, College of Pharmacy (1992)
Soil Adsorption
The Koc of 1-heptene is estimated as 3,500(SRC), using a log Kow of 3.99(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 1-heptene is expected to have slight mobility in soil(SRC).
Literature: (1) Hansch C et al; Exploring QSAR Fundamentals and Applications in Chemistry and Biology. Washington, DC: Amer Chem Soc (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
59.3 mm Hg @ 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiMortierella Isabellinamor horizon of a spruce forest soil southeastern SwedenBengtsson et al 1991
Fungi Verticillium BulbillosumBengtsson et al 1991
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiMortierella Isabellinamalt extact agardiethyl extraction, GC-MSno
Fungi Verticillium Bulbillosumno