Chemical Properties of 2-Pentanethiol (CAS 2084-19-7)

2-Pentanethiol

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InChI
InChI=1S/C5H12S/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3
InChI Key
QUSTYFNPKBDELJ-UHFFFAOYSA-N
Formula
C5H12S
SMILES
CCCC(C)S
Molecular Weight1
104.21
CAS
2084-19-7
Other Names
  • 1-Methylbutanethiol
  • 2-Mercaptopentane
  • 2-Pentylthiol
  • Pentane-2-thiol
  • sec-Amyl mercaptan

Physical Properties

Property Value Unit Source
Δf 18.17 kJ/mol Joback Calculated Property
Δfgas -113.33 kJ/mol Joback Calculated Property
Δfus 9.22 kJ/mol Joback Calculated Property
Δvap 33.07 kJ/mol Joback Calculated Property
log10WS -2.10 Crippen Calculated Property
logPoct/wat 2.105 Crippen Calculated Property
McVol 97.660 ml/mol McGowan Calculated Property
Pc 3782.33 kPa Joback Calculated Property
Inp [751.00; 782.00]   Show Hide
Inp 782.00 NIST
Inp 751.00 NIST
Inp 782.00 NIST
I [964.90; 992.00]   Show Hide
I 967.90 NIST
I 964.90 NIST
I 992.00 NIST
Tboil 376.22 K Joback Calculated Property
Tc 570.72 K Joback Calculated Property
Tfus 104.20 ± 0.30 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
ΔvapH [37.80; 38.40] kJ/mol [349.50; 391.00] Show Hide
ΔvapH 38.40 kJ/mol 349.50 NIST
ΔvapH 37.80 kJ/mol 391.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [288.84; 426.17] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.41096e+01
Coefficient B-3.32428e+03
Coefficient C-4.83330e+01
Temperature range, min.288.84
Temperature range, max.426.17
Pvap 1.33 kPa 288.84 Calculated Property
Pvap 3.04 kPa 304.10 Calculated Property
Pvap 6.32 kPa 319.36 Calculated Property
Pvap 12.15 kPa 334.62 Calculated Property
Pvap 21.87 kPa 349.88 Calculated Property
Pvap 37.20 kPa 365.13 Calculated Property
Pvap 60.25 kPa 380.39 Calculated Property
Pvap 93.53 kPa 395.65 Calculated Property
Pvap 139.93 kPa 410.91 Calculated Property
Pvap 202.63 kPa 426.17 Calculated Property

Similar Compounds

2-Hexanethiol. 3-Hexanethiol. 4-heptanethiol. 2-Heptylthiol. 2-Heptanethiol. 2-Octanethiol. 2-nonanethiol. Cyclopentanethiol. 3-heptanethiol. 3-Pentanethiol. Cyclohexanethiol. CycloHeptanethiol. 2-Pentanethiol, 4-methyl-. 3-Methylpentan-2-thiol, erythro. 3-Methylpentan-2-thiol, threo.

Find more compounds similar to 2-Pentanethiol.

Sources

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