Chemical Properties of 2-Propanethiol, 2-methyl- (CAS 75-66-1)

2-Propanethiol, 2-methyl-

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InChI
InChI=1S/C4H10S/c1-4(2,3)5/h5H,1-3H3
InChI Key
WMXCDAVJEZZYLT-UHFFFAOYSA-N
Formula
C4H10S
SMILES
CC(C)(C)S
Molecular Weight1
90.19
CAS
75-66-1
Other Names
  • 1,1-Dimethylethanethiol
  • 2-Isobutanethiol
  • 2-Methyl-2-propanethiol
  • 2-Methyl-2-propylthiol
  • 2-methylpropane-2-thiol
  • TERT-BUTYL MERCAPTAN
  • TERT-BUTYLTHIOL
  • t-Butyl mercaptan
  • tert-Butanethiol
  • tert-Butyl hydrosulfide
  • tert-Butylmercaptan
  • tert-C4H9SH
  • tertiary-Butyl mercaptan
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Physical Properties

Property Value Unit Source
PAff 816.40 kJ/mol NIST
BasG 785.10 kJ/mol NIST
Δcliquid -3465.00 ± 0.71 kJ/mol NIST
Δf 15.03 kJ/mol Joback Calculated Property
Δfgas -108.70 ± 0.88 kJ/mol NIST
Δfliquid -140.50 ± 0.88 kJ/mol NIST
Δfus 2.74 kJ/mol Joback Calculated Property
Δvap [30.80; 31.80] kJ/mol Show Hide
Δvap 30.93 kJ/mol NIST
Δvap 30.80 kJ/mol NIST
Δvap 30.90 ± 0.08 kJ/mol NIST
Δvap 31.80 kJ/mol NIST
IE 9.03 eV NIST
log10WS -1.68 Crippen Calculated Property
logPoct/wat 1.715 Crippen Calculated Property
McVol 83.570 ml/mol McGowan Calculated Property
Pc 4333.96 kPa Joback Calculated Property
Inp [574.00; 617.00]   Show Hide
Inp 605.50 NIST
Inp Outlier 617.00 NIST
Inp 599.20 NIST
Inp 602.50 NIST
Inp 602.00 NIST
Inp 586.00 NIST
Inp Outlier 574.00 NIST
Inp 577.00 NIST
Inp 603.00 NIST
Inp 602.00 NIST
Inp 606.00 NIST
Inp 599.00 NIST
Inp 602.00 NIST
Inp 584.00 NIST
Inp 594.00 NIST
Inp 600.00 NIST
Inp 595.00 NIST
Inp 587.00 NIST
Inp 589.00 NIST
Inp 602.00 NIST
Inp 584.00 NIST
I [779.00; 779.00]   Show Hide
I 779.00 NIST
I 779.00 NIST
liquid 246.44 J/mol×K NIST
Tboil [334.50; 339.00] K Show Hide
Tboil 334.75 K KDB
Tboil 337.40 K NIST
Tboil 337.00 K NIST
Tboil 337.40 K NIST
Tboil 339.00 ± 2.00 K NIST
Tboil 336.00 ± 3.00 K NIST
Tboil 334.50 ± 0.35 K NIST
Tboil 337.90 ± 0.60 K NIST
Tboil 337.00 ± 2.00 K NIST
Tc 530.10 K NIST
Tfus [273.97; 274.41] K Show Hide
Tfus 274.41 K KDB
Tfus 273.97 ± 0.20 K NIST
Ttriple 274.42 ± 0.02 K NIST
Vc 0.302 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [135.13; 187.65] J/mol×K [350.55; 555.05] Show Hide
Cp,gas 135.13 J/mol×K 350.55 Joback Calculated Property
Cp,gas 145.28 J/mol×K 384.63 Joback Calculated Property
Cp,gas 154.84 J/mol×K 418.72 Joback Calculated Property
Cp,gas 163.83 J/mol×K 452.80 Joback Calculated Property
Cp,gas 172.28 J/mol×K 486.88 Joback Calculated Property
Cp,gas 180.21 J/mol×K 520.97 Joback Calculated Property
Cp,gas 187.65 J/mol×K 555.05 Joback Calculated Property
Cp,liquid 175.06 J/mol×K 298.15 NIST
ΔfusH [0.65; 4.07] kJ/mol [151.60; 274.40] Show Hide
ΔfusH 4.07 kJ/mol 151.60 NIST
ΔfusH 0.65 kJ/mol 157.00 NIST
ΔfusH 0.97 kJ/mol 199.40 NIST
ΔfusH 2.48 kJ/mol 274.40 NIST
ΔfusH 2.48 kJ/mol 274.40 NIST
ΔvapH [28.45; 30.90] kJ/mol [284.00; 337.40] Show Hide
ΔvapH 30.10 kJ/mol 284.00 NIST
ΔvapH 30.90 kJ/mol 333.00 NIST
ΔvapH 28.45 kJ/mol 337.40 NIST
n0 [1.42000; 1.42000]   [293.10; 298.15] Show Hide
n0 1.42000 293.10 Isother...
n0 1.42000 298.15 Vapor L...
ΔfusS [4.13; 26.83] J/mol×K [151.60; 274.40] Show Hide
ΔfusS 26.83 J/mol×K 151.60 NIST
ΔfusS 4.13 J/mol×K 157.00 NIST
ΔfusS 4.87 J/mol×K 199.40 NIST
ΔfusS 9.04 J/mol×K 274.40 NIST

Similar Compounds

Di-tert-butyl disulfide. Di-tert-butyl sulfide. Propane, 2-methyl-2-(methylthio)-. tert-Butyl Methyl disulfide. 2-Propanethiol. Ethanethioic acid S-tert-butyl ester. Neopentane. Neopentyl radical. 2-Butanethiol, 2-methyl-. 2,2-Dimethylthiirane. Methane, bis(tert-butylthio)-. tert-Butyl iodide. Disulfide, 1,1-dimethylethyl ethyl. tert-Butyl methyl sulfoxide. Disulfide, (1-methylethyl) (1,1-dimethylethyl).

Find more compounds similar to 2-Propanethiol, 2-methyl-.

Mixtures

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.