Chemical Properties of 3-((1,1-Dimethylethyl)-thio)-1-propene (CAS 37850-75-2)

3-((1,1-Dimethylethyl)-thio)-1-propene

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InChI
InChI=1S/C7H14S/c1-5-6-8-7(2,3)4/h5H,1,6H2,2-4H3
InChI Key
XIBMCVKDUXKQRS-UHFFFAOYSA-N
Formula
C7H14S
SMILES
C=CCSC(C)(C)C
Molecular Weight1
130.25
CAS
37850-75-2
Other Names
  • 5,5-Dimethyl-4-thia-1-hexene
  • Allyl sec-butyl sulfide
  • Allyl tert-butyl sulphide
Sources

Physical Properties

Property Value Unit Source
Δcliquid -5266.60 ± 2.50 kJ/mol NIST
Δf 131.86 kJ/mol Joback Calculated Property
Δfgas -46.00 ± 2.00 kJ/mol NIST
Δfliquid -90.70 ± 1.60 kJ/mol NIST
Δfus 9.32 kJ/mol Joback Calculated Property
Δvap 44.80 kJ/mol NIST
Δvap 44.00 ± 1.00 kJ/mol NIST
Δvap 44.70 kJ/mol NIST
logPoct/wat 2.70 Crippen Calculated Property
Pc 3045.68 kPa Joback Calculated Property
Tboil 421.79 K Joback Calculated Property
Tc 626.22 K Joback Calculated Property
Tfus 203.71 K Joback Calculated Property
Vc 0.45 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 232.08 J/mol×K 421.79 Joback Calculated Property
ΔvapH 41.90 kJ/mol 329.0 NIST
ΔvapH 43.10 kJ/mol 329.0 NIST

Molecular Descriptors

Joback and Reid Groups
=CH2 1
-CH2- 1
-S- 1
>C< 1
=CH- 1
-CH3 3

Similar Compounds

2-Butene, 1-[(1,1-dimethylethyl)thio]-, (Z)-. trans-1-(t-Butylthio)-2-butene. 1-Propene, 3-[(1-methylethyl)thio]-. Propane, 2-(ethylthio)-2-methyl-. 5,5-dimethyl-4-thia-1-heptene. 2-Butene, 1-[(1-methylethyl)thio]-, (Z)-. trans-1-(Isopropylthio)-2-butene. Propane, 2-methyl-2-[(1-methylethyl)thio]-. Di-tert-butyl sulfide. t-Butyl n-propyl sulfide. 3-Ethylthio-1-propene. 4,4-Dimethyl-3-thia-1-pentanethiol. Sulfide, allyl sec-butyl. Propane, 2-methyl-2-(methylthio)-. 1-Propene, 3,3'-thiobis-.

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