Chemical Properties of (2S,5S)-2-(2-Mercaptopropan-2-yl)-5-methylcyclohexanone (CAS 35117-85-2)

(2S,5S)-2-(2-Mercaptopropan-2-yl)-5-methylcyclohexanone

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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-/m1/s1
InChI Key
RVOKNSFEAOYULQ-HTQZYQBOSA-N
Formula
C10H18OS
SMILES
CC1CCC(C(C)(C)S)C(=O)C1
Molecular Weight1
186.31
CAS
35117-85-2
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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
log10WS -2.88 Crippen Calculated Property
logPoct/wat 2.700 Crippen Calculated Property
McVol 158.820 ml/mol McGowan Calculated Property
Pc 2805.41 kPa Joback Calculated Property
Inp 1366.30 NIST
Tboil 570.53 K Joback Calculated Property
Tc 819.75 K Joback Calculated Property
Tfus 312.70 K Joback Calculated Property
Vc 0.578 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [399.58; 505.09] J/mol×K [570.53; 819.75] Show Hide
Cp,gas 399.58 J/mol×K 570.53 Joback Calculated Property
Cp,gas 420.51 J/mol×K 612.07 Joback Calculated Property
Cp,gas 440.08 J/mol×K 653.60 Joback Calculated Property
Cp,gas 458.30 J/mol×K 695.14 Joback Calculated Property
Cp,gas 475.19 J/mol×K 736.68 Joback Calculated Property
Cp,gas 490.78 J/mol×K 778.21 Joback Calculated Property
Cp,gas 505.09 J/mol×K 819.75 Joback Calculated Property

Similar Compounds

cis-8-Mercapto-p-menthan-3-one. Cyclohexanone, 2-(1-mercapto-1-methylethyl)-5-methyl-, trans-. (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-. 3-Sulfanyl-2-butylpropanal. 3-(Acetylthio)-2-pentylnonanal. 3-(Acetylthio)-2-butyloctanal. 3-(Acetylthio)-2-propylheptanal. tert-Butyldimethylsilyl camphor-10-sulfonate. Sethoxydim. Methyl 5-«beta»-cholan-3-«alpha»,12-«alpha»-diol-7-one-24-oate. (+)-Camphor-10-sulfonyl chloride. Lycopodine.

Find more compounds similar to (2S,5S)-2-(2-Mercaptopropan-2-yl)-5-methylcyclohexanone.

Sources

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