Chemical Properties of 3-Hexanethiol (CAS 1633-90-5)

3-Hexanethiol

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InChI
InChI=1S/C6H14S/c1-3-5-6(7)4-2/h6-7H,3-5H2,1-2H3
InChI Key
VOIGMFQJDZTEKW-UHFFFAOYSA-N
Formula
C6H14S
SMILES
CCCC(S)CC
Molecular Weight1
118.24
CAS
1633-90-5
Other Names
  • 3-Mercaptohexane
  • hexane-3-thiol
Sources

Physical Properties

Property Value Unit Source
Δf 26.59 kJ/mol Joback Calculated Property
Δfgas -133.97 kJ/mol Joback Calculated Property
Δfus 11.81 kJ/mol Joback Calculated Property
Δvap 35.30 kJ/mol Joback Calculated Property
logPoct/wat 2.49 Crippen Calculated Property
Pc 3372.36 kPa Joback Calculated Property
Tboil 399.10 K Joback Calculated Property
Tc 592.27 K Joback Calculated Property
Tfus 178.84 K Joback Calculated Property
Vc 0.42 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 204.79 J/mol×K 399.1 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-CH2- 3
-CH3 2
-SH 1

Similar Compounds

4-heptanethiol. 2-Pentanethiol. 3-heptanethiol. 2-Hexanethiol. Cyclohexanethiol. 3-Pentanethiol. Cyclopentanethiol. CycloHeptanethiol. 2-Heptanethiol. 2-Heptylthiol. 2-Pentanethiol, 4-methyl-. 3-Mercaptohexanal. 3-Mercaptohexanal. 3-Sulfanylhexanal. 1-Hexanethiol.

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