Chemical Properties of 4-heptanethiol (CAS ---)

4-heptanethiol

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InChI
InChI=1S/C7H16S/c1-3-5-7(8)6-4-2/h7-8H,3-6H2,1-2H3
InChI Key
OPLGIZOGDFCNCU-UHFFFAOYSA-N
Formula
C7H16S
SMILES
CCCC(S)CCC
Molecular Weight1
132.27
CAS
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Physical Properties

Property Value Unit Source
Δf 35.01 kJ/mol Joback Calculated Property
Δfgas -154.61 kJ/mol Joback Calculated Property
Δfus 14.40 kJ/mol Joback Calculated Property
Δvap 37.52 kJ/mol Joback Calculated Property
log10WS -2.94 Crippen Calculated Property
logPoct/wat 2.885 Crippen Calculated Property
McVol 125.840 ml/mol McGowan Calculated Property
Pc 3025.61 kPa Joback Calculated Property
I [1140.90; 1144.10]   Show Hide
I 1144.10 NIST
I 1140.90 NIST
I 1144.10 NIST
Tboil 421.98 K Joback Calculated Property
Tc 613.54 K Joback Calculated Property
Tfus 190.11 K Joback Calculated Property
Vc 0.475 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [243.65; 314.27] J/mol×K [421.98; 613.54] Show Hide
Cp,gas 243.65 J/mol×K 421.98 Joback Calculated Property
Cp,gas 256.79 J/mol×K 453.91 Joback Calculated Property
Cp,gas 269.35 J/mol×K 485.83 Joback Calculated Property
Cp,gas 281.37 J/mol×K 517.76 Joback Calculated Property
Cp,gas 292.85 J/mol×K 549.69 Joback Calculated Property
Cp,gas 303.81 J/mol×K 581.61 Joback Calculated Property
Cp,gas 314.27 J/mol×K 613.54 Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [327.80; 477.31] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.42424e+01
Coefficient B-3.70904e+03
Coefficient C-6.20100e+01
Temperature range, min.327.80
Temperature range, max.477.31
Pvap 1.33 kPa 327.80 Calculated Property
Pvap 3.03 kPa 344.41 Calculated Property
Pvap 6.29 kPa 361.02 Calculated Property
Pvap 12.07 kPa 377.64 Calculated Property
Pvap 21.73 kPa 394.25 Calculated Property
Pvap 36.98 kPa 410.86 Calculated Property
Pvap 59.95 kPa 427.47 Calculated Property
Pvap 93.21 kPa 444.09 Calculated Property
Pvap 139.67 kPa 460.70 Calculated Property
Pvap 202.64 kPa 477.31 Calculated Property

Similar Compounds

3-Hexanethiol. 3-heptanethiol. CycloHeptanethiol. 2-Pentanethiol. 2-Hexanethiol. 2-Heptylthiol. 2-Heptanethiol. 2-Octanethiol. 2-nonanethiol. Cyclohexanethiol. Cyclopentanethiol. 3-Sulfanylhexanal. 3-Pentanethiol. 3-Sulfanylheptanal. trans-4-Methylcyclohexane-1-thiol.

Find more compounds similar to 4-heptanethiol.

Sources

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