Chemical Properties of Tert-octyl mercaptan (CAS 7341-16-4)

Tert-octyl mercaptan

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InChI
InChI=1S/C8H18S/c1-8(2,3)6-4-5-7-9/h9H,4-7H2,1-3H3
InChI Key
YBZXKSZKVDFBJI-UHFFFAOYSA-N
Formula
C8H18S
SMILES
CC(C)(C)CCCCS
Molecular Weight1
146.29
CAS
7341-16-4
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Physical Properties

Property Value Unit Source
Δf 48.71 kJ/mol Joback Calculated Property
Δfgas -178.72 kJ/mol Joback Calculated Property
Δfus 13.10 kJ/mol Joback Calculated Property
Δvap 38.84 kJ/mol Joback Calculated Property
log10WS -3.00 Crippen Calculated Property
logPoct/wat 3.133 Crippen Calculated Property
McVol 139.930 ml/mol McGowan Calculated Property
NFPA Fire 2 KDB
NFPA Health 2 KDB
Pc 2761.36 kPa Joback Calculated Property
Tboil 442.07 K Joback Calculated Property
Tc 639.83 K Joback Calculated Property
Tfus 218.80 K Joback Calculated Property
Vc 0.526 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [287.00; 367.11] J/mol×K [442.07; 639.83] Show Hide
Cp,gas 287.00 J/mol×K 442.07 Joback Calculated Property
Cp,gas 302.27 J/mol×K 475.03 Joback Calculated Property
Cp,gas 316.73 J/mol×K 507.99 Joback Calculated Property
Cp,gas 330.41 J/mol×K 540.95 Joback Calculated Property
Cp,gas 343.35 J/mol×K 573.91 Joback Calculated Property
Cp,gas 355.57 J/mol×K 606.87 Joback Calculated Property
Cp,gas 367.11 J/mol×K 639.83 Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [323.32; 508.92] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.24305e+01
Coefficient B-3.19364e+03
Coefficient C-6.03150e+01
Temperature range, min.323.32
Temperature range, max.508.92
Pvap 1.33 kPa 323.32 Calculated Property
Pvap 3.22 kPa 343.94 Calculated Property
Pvap 6.91 kPa 364.56 Calculated Property
Pvap 13.46 kPa 385.19 Calculated Property
Pvap 24.21 kPa 405.81 Calculated Property
Pvap 40.75 kPa 426.43 Calculated Property
Pvap 64.88 kPa 447.05 Calculated Property
Pvap 98.56 kPa 467.68 Calculated Property
Pvap 143.80 kPa 488.30 Calculated Property
Pvap 202.64 kPa 508.92 Calculated Property

Similar Compounds

Tert-dodecyl mercaptan. 1-Hexanethiol. 1-Heptanethiol. 1-Pentanethiol, 4-methyl-. 1-Hexadecanethiol. 1-Pentadecanethiol. 1-Octanethiol. 1-Nonanethiol. 1-Decanethiol. 1-Undecanethiol. Heptadecyl mercaptan. 1-Docosanethiol. 1-Dodecanethiol. 1-Nonadecanethiol. 1-Octadecanethiol.

Find more compounds similar to Tert-octyl mercaptan.

Sources

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