Chemical Properties of Propane, 1-(ethylthio)-2-methyl- (CAS 1613-45-2)

Propane, 1-(ethylthio)-2-methyl-

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InChI
InChI=1S/C6H14S/c1-4-7-5-6(2)3/h6H,4-5H2,1-3H3
InChI Key
OIRKGXWQBSPXLQ-UHFFFAOYSA-N
Formula
C6H14S
SMILES
CCSCC(C)C
Molecular Weight1
118.24
CAS
1613-45-2
Other Names
  • (2-Methylpropyl) ethyl sulfide
  • Ethyl isobutyl sulfide
  • Sulfide, ethyl isobutyl
Sources

Physical Properties

Property Value Unit Source
Δf 30.32 kJ/mol Joback Calculated Property
Δfgas -130.58 kJ/mol Joback Calculated Property
Δfus 11.90 kJ/mol Joback Calculated Property
Δvap 35.38 kJ/mol Joback Calculated Property
logPoct/wat 2.40 Crippen Calculated Property
Pc 3195.54 kPa Joback Calculated Property
Tboil 407.40 ± 0.40 K NIST
Tc 598.38 K Joback Calculated Property
Tfus 176.78 K Joback Calculated Property
Vc 0.42 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 206.46 J/mol×K 405.02 Joback Calculated Property
ΔvapH 41.30 kJ/mol 353.0 NIST
ΔvapH 39.20 kJ/mol 379.5 NIST

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-CH2- 2
-CH3 3
-S- 1

Similar Compounds

Diisobutyl sulfide. Propyl 2-methylpropylsulfide. Propane, 2-methyl-1-(methylthio)-. Sulfide, isobutyl isopropyl. 5-Methyl-3-thia-1-hexanethiol. Sulfide, ethyl propyl. Butyl isobutyl sulfide. 2-[Isobutylthio]ethanal. Propane, 1,1'-thiobis-. Allyl isobutyl sulfide. 2,5,5-trimethyl-4-thiahexane. Methyl (2,2-dimethylpropyl) sulfide. Thietane, 3-methyl-. 2,7-dimethyl-4-thiaoctane. Isobutyl pentyl sulfide.

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