Chemical Properties of 1-Propene, 3-[(1-methylethyl)thio]- (CAS 50996-72-0)

1-Propene, 3-[(1-methylethyl)thio]-

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InChI
InChI=1S/C6H12S/c1-4-5-7-6(2)3/h4,6H,1,5H2,2-3H3
InChI Key
OJBPXSILEFOOQD-UHFFFAOYSA-N
Formula
C6H12S
SMILES
C=CCSC(C)C
Molecular Weight1
116.22
CAS
50996-72-0
Other Names
  • 5-Methyl-4-thia-1-hexene
  • Allyl isopropyl sulfide
Sources

Physical Properties

Property Value Unit Source
Δf 118.16 kJ/mol Joback Calculated Property
Δfgas -5.15 kJ/mol Joback Calculated Property
Δfus 10.62 kJ/mol Joback Calculated Property
Δvap 34.71 kJ/mol Joback Calculated Property
logPoct/wat 2.31 Crippen Calculated Property
Pc 3352.86 kPa Joback Calculated Property
Tboil 401.70 K Joback Calculated Property
Tc 599.38 K Joback Calculated Property
Tfus 175.02 K Joback Calculated Property
Vc 0.40 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 191.61 J/mol×K 401.7 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
=CH2 1
-CH2- 1
-S- 1
=CH- 1
-CH3 2

Similar Compounds

3-((1,1-Dimethylethyl)-thio)-1-propene. 2-Butene, 1-[(1-methylethyl)thio]-, (Z)-. trans-1-(Isopropylthio)-2-butene. 3-Ethylthio-1-propene. 1-Propene, 3,3'-thiobis-. Sulfide, allyl sec-butyl. CH3CH2CH2SCH2CH=CH2. Propane, 2-(ethylthio)-. 2-Butene, 1-[(1,1-dimethylethyl)thio]-, (Z)-. trans-1-(t-Butylthio)-2-butene. 1-Propene, 3-(methylthio)-. Diisopropyl sulfide. 3-Thia-5-hexene-1-thiol. 1-(Ethylthiomethyl)propene. trans-1-(Ethylthio)-2-butene.

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