Chemical Properties of 2-Butanethiol, 2,3-dimethyl- (CAS 1639-01-6)

2-Butanethiol, 2,3-dimethyl-

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InChI
InChI=1S/C6H14S/c1-5(2)6(3,4)7/h5,7H,1-4H3
InChI Key
CRJLQECEGNIMNG-UHFFFAOYSA-N
Formula
C6H14S
SMILES
CC(C)C(C)(C)S
Molecular Weight1
118.24
CAS
1639-01-6
Other Names
  • 2,3-Dimethyl-2-butanethiol
Sources

Physical Properties

Property Value Unit Source
Δcliquid -4777.04 ± 0.67 kJ/mol NIST
Δf 29.43 kJ/mol Joback Calculated Property
Δfgas -147.90 ± 1.00 kJ/mol NIST
Δfliquid -187.20 ± 1.00 kJ/mol NIST
Δfus 4.40 kJ/mol Joback Calculated Property
Δvap 39.30 ± 0.20 kJ/mol NIST
Δvap 39.30 kJ/mol NIST
Δvap 39.30 ± 0.10 kJ/mol NIST
logPoct/wat 2.35 Crippen Calculated Property
Pc 3448.03 kPa Joback Calculated Property
Tboil 395.87 K Joback Calculated Property
Tc 602.65 K Joback Calculated Property
Tfus 181.26 K Joback Calculated Property
Vc 0.41 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 206.45 J/mol×K 395.87 Joback Calculated Property
ΔvapH 39.30 kJ/mol 301.5 NIST
ΔvapH 37.80 kJ/mol 379.5 NIST
ΔvapH 37.40 kJ/mol 384.5 NIST

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-CH3 4
>C< 1
-SH 1

Similar Compounds

2-Butanethiol, 2-methyl-. 2-Butanethiol, 3-methyl-. 2-Pentanethiol, 2-methyl-. 3-Pentanethiol, 2-methyl-. 3-Pentanethiol, 3-methyl-. 3-Methylpentan-2-thiol, erythro. 3-Methylpentan-2-thiol, threo. 3-Mercapto-3-methylbutanol. 3-Mercapto-3-methylbutanol. 3-Mercapto-3-methyl-1-butanol. 2,2,3-Trimethyl-thiirane. 2-mercapto-3-methylbutanol. 1-Butanethiol, 2-methyl-. 2,3-Dimethylbutan-1-thiol. 2-Pentanethiol, 4-methyl-.

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