Chemical Properties of 1-Hexadecanethiol (CAS 2917-26-2)

1-Hexadecanethiol

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InChI
InChI=1S/C16H34S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3
InChI Key
ORTRWBYBJVGVQC-UHFFFAOYSA-N
Formula
C16H34S
SMILES
CCCCCCCCCCCCCCCCS
Molecular Weight1
258.51
CAS
2917-26-2
Other Names
  • Cetyl mercaptan
  • Hexadecanethiol
  • Hexadecyl mercaptan
  • hexadecane-1-thiol
  • n-Hexadecanethiol
  • n-Hexadecyl mercaptan
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Physical Properties

Property Value Unit Source
Δf 113.23 kJ/mol Joback Calculated Property
Δfgas -335.09 kJ/mol Joback Calculated Property
Δfus 41.24 kJ/mol Joback Calculated Property
Δvap 57.95 kJ/mol Joback Calculated Property
log10WS -6.59 Crippen Calculated Property
logPoct/wat 6.398 Crippen Calculated Property
McVol 252.650 ml/mol McGowan Calculated Property
Pc 1381.96 kPa Joback Calculated Property
Tboil 628.34 K Joback Calculated Property
Tc 801.70 K Joback Calculated Property
Tfus 306.54 K Joback Calculated Property
Vc 0.986 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [680.62; 783.47] J/mol×K [628.34; 801.70] Show Hide
Cp,gas 680.62 J/mol×K 628.34 Joback Calculated Property
Cp,gas 699.78 J/mol×K 657.23 Joback Calculated Property
Cp,gas 718.09 J/mol×K 686.13 Joback Calculated Property
Cp,gas 735.59 J/mol×K 715.02 Joback Calculated Property
Cp,gas 752.30 J/mol×K 743.92 Joback Calculated Property
Cp,gas 768.25 J/mol×K 772.81 Joback Calculated Property
Cp,gas 783.47 J/mol×K 801.70 Joback Calculated Property
Cp,liquid 574.22 J/mol×K 300.00 NIST
ΔvapH 72.40 kJ/mol 556.50 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr [398.70; 460.70] K [0.07; 0.90] Show Hide
Tboilr 398.70 K 0.07 NIST
Tboilr 460.70 K 0.90 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [466.13; 637.83] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.57330e+01
Coefficient B-5.50148e+03
Coefficient C-1.09940e+02
Temperature range, min.466.13
Temperature range, max.637.83
Pvap 1.33 kPa 466.13 Calculated Property
Pvap 2.92 kPa 485.21 Calculated Property
Pvap 5.94 kPa 504.29 Calculated Property
Pvap 11.31 kPa 523.36 Calculated Property
Pvap 20.35 kPa 542.44 Calculated Property
Pvap 34.82 kPa 561.52 Calculated Property
Pvap 57.06 kPa 580.60 Calculated Property
Pvap 89.97 kPa 599.67 Calculated Property
Pvap 137.09 kPa 618.75 Calculated Property
Pvap 202.64 kPa 637.83 Calculated Property

Similar Compounds

1-Undecanethiol. 1-Octadecanethiol. 1-Nonanethiol. 1-Dodecanethiol. 1-Decanethiol. 1-Tridecanethiol. 1-Nonadecanethiol. 1-Octanethiol. Heptadecyl mercaptan. 1-Docosanethiol. 1-Eicosanethiol. Tetradecanethiol. 1-Pentadecanethiol. 1-Heptanethiol. 1-Hexanethiol.

Find more compounds similar to 1-Hexadecanethiol.

Sources

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