Chemical Properties of 4,5-Thiepanedione, 3,3,6,6-tetramethyl- (CAS 2800-87-5)

4,5-Thiepanedione, 3,3,6,6-tetramethyl-

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InChI
InChI=1S/C10H16O2S/c1-9(2)5-13-6-10(3,4)8(12)7(9)11/h5-6H2,1-4H3
InChI Key
GFZNLWBRSSKIQN-UHFFFAOYSA-N
Formula
C10H16O2S
SMILES
CC1(C)CSCC(C)(C)C(=O)C1=O
Molecular Weight1
200.30
CAS
2800-87-5
Other Names
  • 1,2-Cycloheptanedione-5-thia, 3,3,7,7-tetramethyl-
Sources

Physical Properties

Property Value Unit Source
Δf -178.34 kJ/mol Joback Calculated Property
Δfgas -421.57 kJ/mol Joback Calculated Property
Δfus 2.54 kJ/mol Joback Calculated Property
Δvap 50.15 kJ/mol Joback Calculated Property
logPoct/wat 1.92 Crippen Calculated Property
Pc 2995.87 kPa Joback Calculated Property
Tboil 631.30 K Joback Calculated Property
Tc 899.43 K Joback Calculated Property
Tfus 469.77 K Joback Calculated Property
Vc 0.58 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 419.05 J/mol×K 631.3 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>C< (ring) 2
>C=O (ring) 2
-CH2- (ring) 2
-S- (ring) 1
-CH3 4

Similar Compounds

1-Thiacycloheptane,3,3,6,6-tetramethyl-. S-(2-((1R,4S)-4-methyl-2-oxocyclohexyl)propan-2-yl) ethanethioate, rel-. S-(2-((1R,4R)-4-Methyl-2-oxocyclohexyl)propan-2-yl) ethanethioate. trans-p-Mentha-8-methylthio-3-one. (2R,5S)-5-Methyl-2-(2-(methylthio)propan-2-yl)cyclohexanone, rel-. 4,5-Dihydro-2,4-dimethyl-3(2H)-thiophenone. 4,5-dihydro-2,(4 or 5)-dimethyl-3(2H)- thiophenone. Thiophen-3(2H)-one, 4,5-dihydro-2,4-dimethyl, # 1 (E or Z). 1,2-Cyclopentanedione, 3,3,5,5-tetramethyl-. Thiophen3(2H)-one, 4,5-dihydro-2,4-dimethyl, #2 (E or Z). 1,2-Cyclohexanedione, 3,3,6,6-tetramethyl-. cis,trans-2-Methyl-1-thiadecalin. cis,cis-2-Methyl-1-thiadecalin. trans, cis-2-Methyl-1-thiadecalin. 2,2,5,5-Tetramethyl-3-hexanone.

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