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
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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
log10WS -1.86 Crippen Calculated Property
logPoct/wat 1.961 Crippen Calculated Property
McVol 97.660 ml/mol McGowan Calculated Property
Pc 3819.82 kPa Joback Calculated Property
Inp [743.00; 773.00]   Show Hide
Inp 773.00 NIST
Inp 773.00 NIST
Inp 743.00 NIST
I 978.00 NIST
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 0.357 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [168.20; 226.21] J/mol×K [375.78; 575.16] Show Hide
Cp,gas 168.20 J/mol×K 375.78 Joback Calculated Property
Cp,gas 179.00 J/mol×K 409.01 Joback Calculated Property
Cp,gas 189.33 J/mol×K 442.24 Joback Calculated Property
Cp,gas 199.21 J/mol×K 475.47 Joback Calculated Property
Cp,gas 208.64 J/mol×K 508.70 Joback Calculated Property
Cp,gas 217.64 J/mol×K 541.93 Joback Calculated Property
Cp,gas 226.21 J/mol×K 575.16 Joback Calculated Property
Cp,liquid 198.95 J/mol×K 298.15 NIST
ΔfusH [0.61; 7.06] kJ/mol [144.50; 191.00] Show Hide
ΔfusH 7.06 kJ/mol 144.50 NIST
ΔfusH 0.61 kJ/mol 146.10 NIST
ΔfusH 0.61 kJ/mol 191.00 NIST
ΔvapH [36.20; 37.70] kJ/mol [347.00; 368.50] Show Hide
ΔvapH 37.70 kJ/mol 347.00 NIST
ΔvapH 36.20 kJ/mol 368.50 NIST
ΔfusS [4.16; 48.89] J/mol×K [144.50; 146.10] Show Hide
ΔfusS 48.89 J/mol×K 144.50 NIST
ΔfusS 4.16 J/mol×K 146.10 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [286.73; 406.03] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.53811e+01
Coefficient B-3.60930e+03
Coefficient C-4.75990e+01
Temperature range, min.286.73
Temperature range, max.406.03
Pvap 1.33 kPa 286.73 Calculated Property
Pvap 2.95 kPa 299.99 Calculated Property
Pvap 6.01 kPa 313.24 Calculated Property
Pvap 11.47 kPa 326.50 Calculated Property
Pvap 20.63 kPa 339.75 Calculated Property
Pvap 35.27 kPa 353.01 Calculated Property
Pvap 57.67 kPa 366.26 Calculated Property
Pvap 90.66 kPa 379.52 Calculated Property
Pvap 137.64 kPa 392.77 Calculated Property
Pvap 202.63 kPa 406.03 Calculated Property

Similar Compounds

3-Pentanethiol, 2-methyl-. 2-Butanethiol, 2,3-dimethyl-. 3-Sulfanyl-2-methylbutan-1-thiol. 3-Methylpentan-2-thiol, erythro. 3-Methylpentan-2-thiol, threo. Butane, 2-methyl-3-(methylthio)-. 2-Butanethiol. 2-mercapto-3-methylbutanol. 2,3-dimethyl-4,5-dithiahexane. Methyl 1,2-dimethylpropyl disulfide. 2,3-Dimethylbutan-1-thiol. 3-Mercapto-2-methyl-1-butanol. 2-methyl-3-sulfanyl-butan-1-ol. 3-Mercapto-2-methylbutanol. 3-Sulfanyl-2-methylbutan-1-ol.

Find more compounds similar to 2-Butanethiol, 3-methyl-.

Sources

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