Chemical Properties of 3-Mercapto-2,2-dimethyl-1-propanol

3-Mercapto-2,2-dimethyl-1-propanol

InChI
InChI=1S/C5H12OS/c1-5(2,3-6)4-7/h6-7H,3-4H2,1-2H3
InChI Key
YCCMKEDQXNVBHB-UHFFFAOYSA-N
Formula
C5H12OS
SMILES
CC(C)(CO)CS
Molecular Weight1
120.21
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Physical Properties

Property Value Unit Source
ω 0.5947 Relay (1.0) Calculated Property
ΔfG° -113.37 kJ/mol Joback Calculated Property
ΔfH°gas -280.89 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 9.42 kJ/mol Joback Calculated Property
ΔvapH° 68.37 kJ/mol Relay (1.0) Calculated Property
IE 9.20 eV Relay (1.0) Calculated Property
log10WS -0.94 Relay (1.0) Calculated Property
logPoct/wat 0.935 Crippen Calculated Property
McVol 103.530 ml/mol McGowan Calculated Property
Pc 4311.22 kPa Joback Calculated Property
Inp 962.00 NIST
Ip 1680.00 NIST
Tboil 458.11 K Relay (1.0) Calculated Property
Tc 698.54 K Relay (1.0) Calculated Property
Tfus 331.36 K Relay (1.0) Calculated Property
Vc 0.348 m3/kmol Relay (1.0) Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [143.38; 322.79] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-5.94800e+00
Coefficient B6.65940e-01
Coefficient C-4.72800e-04
Coefficient D1.35600e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 143.38 J/mol×K 273.00 Calculated Property
Cp,gas 176.48 J/mol×K 353.78 Calculated Property
Cp,gas 205.28 J/mol×K 434.56 Calculated Property
Cp,gas 230.23 J/mol×K 515.33 Calculated Property
Cp,gas 251.74 J/mol×K 596.11 Calculated Property
Cp,gas 270.25 J/mol×K 676.89 Calculated Property
Cp,gas 286.18 J/mol×K 757.67 Calculated Property
Cp,gas 299.96 J/mol×K 838.44 Calculated Property
Cp,gas 312.02 J/mol×K 919.22 Calculated Property
Cp,gas 322.79 J/mol×K 1000.00 Calculated Property

Similar Compounds

3-Mercapto-2-methylpropanol. 1-Propanol, 2,2-dimethyl-. 3-Mercapto-2-ethylpropanol. 1-Propanethiol, 2,2-dimethyl-. 2-methyl-3-sulfanyl-butan-1-ol. bis-[3,3-(2-Methylpropanol-1)] disulfide. 1-Propanol, 3-mercapto-. 3-BROMO-2,2-DIMETHYL-1-PROPANOL. 3-mercapto-2-methylpropyl- acetate. Neopentyl glycol. 2,2-DIMETHYL-3-HYDROXYPROPIONALDEHYDE. 1,3-Propanediol, 2-(hydroxymethyl)-2-methyl-. 3-CHLORO-2,2-DIMETHYL-1-PROPANOL. Hydroxypivalic acid. 3-Sulfanyl-2-butylpropan-1-ol.

Find more compounds similar to 3-Mercapto-2,2-dimethyl-1-propanol.

Sources

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