Chemical Properties of cis-8-Mercapto-p-menthan-3-one (CAS 35117-86-3)

cis-8-Mercapto-p-menthan-3-one

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InChI
InChI=1S/C10H18OS/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-8,12H,4-6H2,1-3H3/t7-,8+/m0/s1
InChI Key
RVOKNSFEAOYULQ-JGVFFNPUSA-N
Formula
C10H18OS
SMILES
CC1CCC(C(C)(C)S)C(=O)C1
Molecular Weight1
186.31
CAS
35117-86-3
Other Names
  • (2R,5S)-2-(2-Mercaptopropan-2-yl)-5-methylcyclohexanone
Sources

Physical Properties

Property Value Unit Source
Δf -40.30 kJ/mol Joback Calculated Property
Δfgas -323.72 kJ/mol Joback Calculated Property
Δfus 10.70 kJ/mol Joback Calculated Property
Δvap 47.66 kJ/mol Joback Calculated Property
logPoct/wat 2.70 Crippen Calculated Property
Pc 2805.41 kPa Joback Calculated Property
Tboil 570.53 K Joback Calculated Property
Tc 819.75 K Joback Calculated Property
Tfus 312.70 K Joback Calculated Property
Vc 0.58 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 399.58 J/mol×K 570.53 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-CH3 3
>C< 1
-SH 1
>C=O (ring) 1
>CH- (ring) 2
-CH2- (ring) 3

Similar Compounds

Cyclohexanone, 2-(1-mercapto-1-methylethyl)-5-methyl-, trans-. (2S,5S)-2-(2-Mercaptopropan-2-yl)-5-methylcyclohexanone. (2R,5S)-5-Methyl-2-(2-(methylthio)propan-2-yl)cyclohexanone, rel-. trans-p-Mentha-8-methylthio-3-one. S-(2-((1R,4R)-4-Methyl-2-oxocyclohexyl)propan-2-yl) ethanethioate. S-(2-((1R,4S)-4-methyl-2-oxocyclohexyl)propan-2-yl) ethanethioate, rel-. Cyclohexanone, 5-methyl-2-(1-methylethyl)-. Cyclohexanone, 5-methyl-2-(1-methylethyl)-, trans-. Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R-cis)-. Cyclohexanone, 5-methyl-2-(1-methylethyl)-, cis-. Bisabol-1-one. Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2S-cis)-. 2-ethyl isomenthone. Muurol-5-en-4-one. Cyclohexanebutanal, 2-methyl-3-oxo-, cis-.

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