Chemical Properties of 2-Butanethiol (CAS 513-53-1)

2-Butanethiol

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InChI
InChI=1S/C4H10S/c1-3-4(2)5/h4-5H,3H2,1-2H3
InChI Key
LOCHFZBWPCLPAN-UHFFFAOYSA-N
Formula
C4H10S
SMILES
CCC(C)S
Molecular Weight1
90.19
CAS
513-53-1
Other Names
  • 1-Methyl-1-propanethiol
  • 2-Butyl mercaptan
  • 2-Butylthiol
  • 2-MERCAPTOBUTANE
  • NSC 78417
  • SEC-BUTYL MERCAPTAN
  • SEC-BUTYL THIOL
  • Secondary butylmercaptan
  • butane-2-thiol
  • sec-Butanethiol
  • sec-Butyl thioalcohol
  • sec-C4H9SH
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Physical Properties

Property Value Unit Source
PAff 813.00 kJ/mol NIST
BasG 781.70 kJ/mol NIST
Δcliquid -3474.60 ± 0.71 kJ/mol NIST
Δf 9.75 kJ/mol Joback Calculated Property
Δfgas -96.11 ± 0.79 kJ/mol NIST
Δfliquid -131.00 ± 0.88 kJ/mol NIST
Δfus 6.63 kJ/mol Joback Calculated Property
Δvap [34.00; 34.90] kJ/mol Show Hide
Δvap 34.08 kJ/mol NIST
Δvap 34.10 kJ/mol NIST
Δvap 34.90 kJ/mol NIST
Δvap 34.00 kJ/mol NIST
IE 9.10 eV NIST
log10WS -1.68 Crippen Calculated Property
logPoct/wat 1.715 Crippen Calculated Property
McVol 83.570 ml/mol McGowan Calculated Property
Pc 4271.86 kPa Joback Calculated Property
Inp [647.00; 688.80]   Show Hide
Inp 677.20 NIST
Inp 688.80 NIST
Inp 669.40 NIST
Inp 672.60 NIST
Inp 679.00 NIST
Inp 647.00 NIST
Inp 651.00 NIST
Inp 681.00 NIST
Inp 679.00 NIST
Inp 677.00 NIST
Inp 669.00 NIST
Inp 673.00 NIST
Inp 650.00 NIST
Inp 656.00 NIST
Inp 681.00 NIST
Inp 677.00 NIST
I 887.00 NIST
liquid 271.42 J/mol×K NIST
Tboil 310.55 K KDB
Tc 554.00 K NIST
Tfus [108.20; 133.01] K Show Hide
Tfus 133.01 K KDB
Tfus 108.20 ± 0.30 K NIST
Ttriple [133.01; 133.02] K Show Hide
Ttriple 133.02 ± 0.06 K NIST
Ttriple 133.01 ± 0.06 K NIST
Vc 0.307 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [134.26; 182.11] J/mol×K [353.34; 548.81] Show Hide
Cp,gas 134.26 J/mol×K 353.34 Joback Calculated Property
Cp,gas 143.11 J/mol×K 385.92 Joback Calculated Property
Cp,gas 151.61 J/mol×K 418.50 Joback Calculated Property
Cp,gas 159.74 J/mol×K 451.07 Joback Calculated Property
Cp,gas 167.54 J/mol×K 483.65 Joback Calculated Property
Cp,gas 174.99 J/mol×K 516.23 Joback Calculated Property
Cp,gas 182.11 J/mol×K 548.81 Joback Calculated Property
Cp,liquid 171.20 J/mol×K 298.15 NIST
ΔfusH [6.48; 6.48] kJ/mol [133.00; 133.02] Show Hide
ΔfusH 6.48 kJ/mol 133.00 NIST
ΔfusH 6.48 kJ/mol 133.00 NIST
ΔfusH 6.48 kJ/mol 133.02 NIST
ΔvapH [30.59; 33.20] kJ/mol [318.00; 358.10] Show Hide
ΔvapH 32.90 ± 0.10 kJ/mol 318.00 NIST
ΔvapH 32.30 ± 0.10 kJ/mol 329.00 NIST
ΔvapH 31.80 ± 0.10 kJ/mol 337.00 NIST
ΔvapH 33.20 kJ/mol 352.50 NIST
ΔvapH 30.60 ± 0.10 kJ/mol 358.00 NIST
ΔvapH 30.59 kJ/mol 358.10 NIST
ΔfusS 48.69 J/mol×K 133.02 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [266.90; 379.86] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.53717e+01
Coefficient B-3.41192e+03
Coefficient C-4.07100e+01
Temperature range, min.266.90
Temperature range, max.379.86
Pvap 1.33 kPa 266.90 Calculated Property
Pvap 2.95 kPa 279.45 Calculated Property
Pvap 6.01 kPa 292.00 Calculated Property
Pvap 11.47 kPa 304.55 Calculated Property
Pvap 20.64 kPa 317.10 Calculated Property
Pvap 35.29 kPa 329.66 Calculated Property
Pvap 57.69 kPa 342.21 Calculated Property
Pvap 90.68 kPa 354.76 Calculated Property
Pvap 137.67 kPa 367.31 Calculated Property
Pvap 202.65 kPa 379.86 Calculated Property
Pvap [2.83e-08; 3903.05] kPa [133.02; 554.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A6.48816e+01
Coefficient B-6.10288e+03
Coefficient C-7.45743e+00
Coefficient D4.93210e-06
Temperature range, min.133.02
Temperature range, max.554.00
Pvap 2.83e-08 kPa 133.02 Calculated Property
Pvap 4.91e-04 kPa 179.80 Calculated Property
Pvap 0.11 kPa 226.57 Calculated Property
Pvap 2.95 kPa 273.35 Calculated Property
Pvap 27.20 kPa 320.12 Calculated Property
Pvap 130.98 kPa 366.90 Calculated Property
Pvap 420.37 kPa 413.67 Calculated Property
Pvap 1035.49 kPa 460.45 Calculated Property
Pvap 2135.88 kPa 507.22 Calculated Property
Pvap 3903.05 kPa 554.00 Calculated Property

Similar Compounds

3-Pentanethiol. 2,3-Butanedithiol. 2-Pentanethiol. Cyclobutanethiol. 3-Mercapto-butyraldehyde. 3-Mercaptobutanal. 1,3-Butanedithiol. 2-Butanethiol, 3-methyl-. 3-Hexanethiol. 2-Hexanethiol. 1-Butanethiol. 4-heptanethiol. 2-Butanethiol, 2-methyl-. 2-Heptylthiol. 2-Heptanethiol.

Find more compounds similar to 2-Butanethiol.

Sources

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