Chemical Properties of (2R,5S)-5-Methyl-2-(2-(methylthio)propan-2-yl)cyclohexanone, rel- (CAS 32637-94-8)

(2R,5S)-5-Methyl-2-(2-(methylthio)propan-2-yl)cyclohexanone, rel-

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InChI
InChI=1S/C11H20OS/c1-8-5-6-9(10(12)7-8)11(2,3)13-4/h8-9H,5-7H2,1-4H3
InChI Key
HJFSNLWDUINFTB-UHFFFAOYSA-N
Formula
C11H20OS
SMILES
CSC(C)(C)C1CCC(C)CC1=O
Molecular Weight1
200.34
CAS
32637-94-8
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Physical Properties

Property Value Unit Source
Δf -28.15 kJ/mol Joback Calculated Property
Δfgas -340.97 kJ/mol Joback Calculated Property
Δfus 13.38 kJ/mol Joback Calculated Property
Δvap 49.97 kJ/mol Joback Calculated Property
log10WS -3.11 Crippen Calculated Property
logPoct/wat 3.133 Crippen Calculated Property
McVol 172.910 ml/mol McGowan Calculated Property
Pc 2424.27 kPa Joback Calculated Property
Inp [1495.70; 1495.70]   Show Hide
Inp 1495.70 NIST
Inp 1495.70 NIST
Tboil 599.33 K Joback Calculated Property
Tc 842.49 K Joback Calculated Property
Tfus 321.91 K Joback Calculated Property
Vc 0.633 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [453.63; 561.60] J/mol×K [599.33; 842.49] Show Hide
Cp,gas 453.63 J/mol×K 599.33 Joback Calculated Property
Cp,gas 475.07 J/mol×K 639.86 Joback Calculated Property
Cp,gas 495.12 J/mol×K 680.38 Joback Calculated Property
Cp,gas 513.79 J/mol×K 720.91 Joback Calculated Property
Cp,gas 531.08 J/mol×K 761.44 Joback Calculated Property
Cp,gas 547.01 J/mol×K 801.97 Joback Calculated Property
Cp,gas 561.60 J/mol×K 842.49 Joback Calculated Property

Similar Compounds

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, 2-(1-mercapto-1-methylethyl)-5-methyl-, trans-. cis-8-Mercapto-p-menthan-3-one. (2S,5S)-2-(2-Mercaptopropan-2-yl)-5-methylcyclohexanone. Bicyclo[3.3.1]heptane, 6,6-dimethyl-2,7-bis-(methylthio). 3-(Acetylthio)-2-butyloctanal. 3-(Acetylthio)-2-pentylnonanal. 2-Cyclohexen-1-one, 2-methyl-5-[1-methyl-1,2-bis-(methylthio)ethyl]. 3-(Acetylthio)-2-propylheptanal. Bicyclo[3.1.1]heptane, 2,6,6-trimethyl, 2,3-bis-(methylthio). 4,7,7-Trimethyl-6-thiabicyclo[3.2.1]octane. tert-Butyldimethylsilyl camphor-10-sulfonate. Sethoxydim.

Find more compounds similar to (2R,5S)-5-Methyl-2-(2-(methylthio)propan-2-yl)cyclohexanone, rel-.

Sources

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