Chemical Properties of S-(2-((1R,4S)-4-methyl-2-oxocyclohexyl)propan-2-yl) ethanethioate, rel- (CAS 166022-16-8)

S-(2-((1R,4S)-4-methyl-2-oxocyclohexyl)propan-2-yl) ethanethioate, rel-

PDF Excel Molecule Calculator
InChI
InChI=1S/C12H20O2S/c1-8-5-6-10(11(14)7-8)12(3,4)15-9(2)13/h8,10H,5-7H2,1-4H3
InChI Key
AMXPURQVAMENCC-UHFFFAOYSA-N
Formula
C12H20O2S
SMILES
CC(=O)SC(C)(C)C1CCC(C)CC1=O
Molecular Weight1
228.35
CAS
166022-16-8
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
Δf -148.65 kJ/mol Joback Calculated Property
Δfgas -474.19 kJ/mol Joback Calculated Property
Δfus 17.57 kJ/mol Joback Calculated Property
Δvap 58.94 kJ/mol Joback Calculated Property
log10WS -3.31 Crippen Calculated Property
logPoct/wat 3.050 Crippen Calculated Property
McVol 188.570 ml/mol McGowan Calculated Property
Pc 2347.36 kPa Joback Calculated Property
Inp [1603.50; 1603.50]   Show Hide
Inp 1603.50 NIST
Inp 1603.50 NIST
Tboil 676.08 K Joback Calculated Property
Tc 920.33 K Joback Calculated Property
Tfus 383.11 K Joback Calculated Property
Vc 0.696 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [529.37; 625.99] J/mol×K [676.08; 920.33] Show Hide
Cp,gas 529.37 J/mol×K 676.08 Joback Calculated Property
Cp,gas 549.14 J/mol×K 716.79 Joback Calculated Property
Cp,gas 567.42 J/mol×K 757.50 Joback Calculated Property
Cp,gas 584.23 J/mol×K 798.20 Joback Calculated Property
Cp,gas 599.59 J/mol×K 838.91 Joback Calculated Property
Cp,gas 613.50 J/mol×K 879.62 Joback Calculated Property
Cp,gas 625.99 J/mol×K 920.33 Joback Calculated Property

Similar Compounds

S-(2-((1R,4R)-4-Methyl-2-oxocyclohexyl)propan-2-yl) ethanethioate. (2R,5S)-5-Methyl-2-(2-(methylthio)propan-2-yl)cyclohexanone, rel-. trans-p-Mentha-8-methylthio-3-one. (2S,5S)-2-(2-Mercaptopropan-2-yl)-5-methylcyclohexanone. Cyclohexanone, 2-(1-mercapto-1-methylethyl)-5-methyl-, trans-. cis-8-Mercapto-p-menthan-3-one. 3-(Acetylthio)-2-pentylnonanal. 3-(Acetylthio)-2-butyloctanal. 3-(Acetylthio)-2-propylheptanal. 3-(Acetylthio)-2-ethylhexanal. Sethoxydim. 2-Cyclohexen-1-one, 2-methyl-5-[1-methyl-1,2-bis-(methylthio)ethyl]. tert-Butyldimethylsilyl camphor-10-sulfonate. Spironolactone. Estra-1,3,5(10)-trien-17-one, 1-methyl-3,6,7-tris[(trifluoroacetyl)oxy]-, (6«alpha»,7«alpha»)-.

Find more compounds similar to S-(2-((1R,4S)-4-methyl-2-oxocyclohexyl)propan-2-yl) ethanethioate, rel-.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.