Chemical Properties of 2-Butanethiol, 3-methyl- (CAS 2084-18-6)

2-Butanethiol, 3-methyl-

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InChI
InChI=1S/C5H12S/c1-4(2)5(3)6/h4-6H,1-3H3
InChI Key
BFLXFRNPNMTTAA-UHFFFAOYSA-N
Formula
C5H12S
SMILES
CC(C)C(C)S
Molecular Weight1
104.21
CAS
2084-18-6
Other Names
  • 3-Methyl-2-butanethiol
  • 3-Methyl-2-butylthiol
  • 3-Methylbutan-2-thiol
  • 3-methylbutane-2-thiol
Sources

Physical Properties

Property Value Unit Source
Δcliquid -4126.00 ± 0.84 kJ/mol NIST
Δf 15.73 kJ/mol Joback Calculated Property
Δfgas -121.00 ± 0.96 kJ/mol NIST
Δfliquid -158.40 ± 0.92 kJ/mol NIST
Δfus 5.70 kJ/mol Joback Calculated Property
Δvap [37.40; 37.70] kJ/mol Show Hide
Δvap 37.50 ± 0.20 kJ/mol NIST
Δvap 37.40 kJ/mol NIST
Δvap 37.50 ± 0.10 kJ/mol NIST
Δvap 37.70 kJ/mol NIST
logPoct/wat 1.96 Crippen Calculated Property
Pc 3819.82 kPa Joback Calculated Property
liquid 295.60 J/mol×K NIST
Tboil 382.95 ± 0.20 K NIST
Tc 575.16 K Joback Calculated Property
Tfus 152.57 K Joback Calculated Property
Ttriple 146.05 ± 0.06 K NIST
Vc 0.36 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 168.20 J/mol×K 375.78 Joback Calculated Property
Cp,liquid 198.95 J/mol×K 298.15 NIST
ΔfusH 7.06 kJ/mol 144.5 NIST
ΔfusH 0.61 kJ/mol 146.1 NIST
ΔvapH 37.70 kJ/mol 347.0 NIST
ΔvapH 36.20 kJ/mol 368.5 NIST
ΔfusS 48.89 J/mol×K 144.5 NIST
ΔfusS 4.16 J/mol×K 146.1 NIST

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-CH3 3
-SH 1

Similar Compounds

2-Butanethiol, 2,3-dimethyl-. 3-Pentanethiol, 2-methyl-. 2-Butanethiol, 2-methyl-. 3-Methylpentan-2-thiol, threo. 3-Methylpentan-2-thiol, erythro. 1-Butanethiol, 2-methyl-. 2-Butanethiol. Butane, 2-methyl-3-(methylthio)-. 1-Propanethiol, 2-methyl-. 1-Butanethiol, 3-methyl-. 2-mercapto-3-methylbutanol. 2-Pentanethiol, 2-methyl-. 3-Pentanethiol. 3-Mercapto-2-methylbutanal. 3-Mercapto-2-methylbutanal.

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