Chemical Properties of 1-Butanethiol, 3-methyl- (CAS 541-31-1)

1-Butanethiol, 3-methyl-

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InChI
InChI=1S/C5H12S/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3
InChI Key
GIJGXNFNUUFEGH-UHFFFAOYSA-N
Formula
C5H12S
SMILES
CC(C)CCS
Molecular Weight1
104.21
CAS
541-31-1
Other Names
  • 2-Methyl-4-butanethiol
  • 3-Methyl-1-butanethiol
  • 3-Methyl-1-butylthiol
  • 3-Methylbutan-1-thiol
  • 3-Methylbutanethiol
  • 3-methylbutane-1-thiol
  • Isoamyl mercaptan
  • Isoamyl sulfhydrate
  • Isopentyl mercaptan
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Physical Properties

Property Value Unit Source
Δcliquid -4130.50 ± 1.10 kJ/mol NIST
Δf 18.17 kJ/mol Joback Calculated Property
Δfgas -114.60 ± 1.20 kJ/mol NIST
Δfliquid -154.10 ± 1.20 kJ/mol NIST
Δfus 9.22 kJ/mol Joback Calculated Property
Δvap [39.40; 39.90] kJ/mol Show Hide
Δvap 39.40 ± 0.20 kJ/mol NIST
Δvap 39.50 kJ/mol NIST
Δvap 39.90 ± 0.10 kJ/mol NIST
Δvap 39.70 kJ/mol NIST
log10WS -1.75 Crippen Calculated Property
logPoct/wat 1.962 Crippen Calculated Property
McVol 97.660 ml/mol McGowan Calculated Property
Pc 3782.33 kPa Joback Calculated Property
Inp [768.00; 794.00]   Show Hide
Inp 794.00 NIST
Inp 794.00 NIST
Inp 768.00 NIST
Inp 794.00 NIST
I [1017.00; 1017.00]   Show Hide
I 1017.00 NIST
I 1017.00 NIST
liquid 298.49 J/mol×K NIST
Tboil 391.20 K NIST
Tc 570.72 K Joback Calculated Property
Tfus 167.57 K Joback Calculated Property
Ttriple 139.63 ± 0.01 K NIST
Vc 0.363 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [168.28; 224.53] J/mol×K [376.22; 570.72] Show Hide
Cp,gas 168.28 J/mol×K 376.22 Joback Calculated Property
Cp,gas 178.71 J/mol×K 408.64 Joback Calculated Property
Cp,gas 188.71 J/mol×K 441.05 Joback Calculated Property
Cp,gas 198.28 J/mol×K 473.47 Joback Calculated Property
Cp,gas 207.43 J/mol×K 505.89 Joback Calculated Property
Cp,gas 216.18 J/mol×K 538.31 Joback Calculated Property
Cp,gas 224.53 J/mol×K 570.72 Joback Calculated Property
Cp,liquid 200.33 J/mol×K 298.15 NIST
Cp,solid 93.72 J/mol×K 103.00 NIST
ΔfusH [7.41; 7.41] kJ/mol [139.60; 139.63] Show Hide
ΔfusH 7.41 kJ/mol 139.60 NIST
ΔfusH 7.41 kJ/mol 139.60 NIST
ΔfusH 7.41 kJ/mol 139.63 NIST
ΔvapH [37.70; 39.30] kJ/mol [355.00; 377.00] Show Hide
ΔvapH 39.30 kJ/mol 355.00 NIST
ΔvapH 37.70 kJ/mol 377.00 NIST
ΔfusS 53.04 J/mol×K 139.63 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [293.60; 414.58] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.54274e+01
Coefficient B-3.68822e+03
Coefficient C-4.99860e+01
Temperature range, min.293.60
Temperature range, max.414.58
Pvap 1.33 kPa 293.60 Calculated Property
Pvap 2.94 kPa 307.04 Calculated Property
Pvap 6.00 kPa 320.48 Calculated Property
Pvap 11.45 kPa 333.93 Calculated Property
Pvap 20.60 kPa 347.37 Calculated Property
Pvap 35.22 kPa 360.81 Calculated Property
Pvap 57.59 kPa 374.25 Calculated Property
Pvap 90.57 kPa 387.70 Calculated Property
Pvap 137.58 kPa 401.14 Calculated Property
Pvap 202.65 kPa 414.58 Calculated Property

Similar Compounds

1-Pentanethiol, 3-methyl-. 1-Butanethiol, 2-methyl-. 1-Butanethiol. 1-Pentanethiol, 4-methyl-. 2,3-Dimethylbutan-1-thiol. 2-Ethylbutan-1-thiol. 2-Pentanethiol, 4-methyl-. Butane, 3-methyl-1-(methylthio)-. Disulfide, isopentyl methyl. 1-Pentanethiol. 1-Pentanethiol, 2-methyl-. 1,4-Butanedithiol. Disulfide, bis(3-methylbutyl). 1-Hexanethiol. Disulfide, ethyl isopentyl.

Find more compounds similar to 1-Butanethiol, 3-methyl-.

Sources

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