Chemical Properties of trans-2,3-Dimethylthiophane (CAS 5161-78-4)

trans-2,3-Dimethylthiophane

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InChI
InChI=1S/C6H12S/c1-5-3-4-7-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6+/m0/s1
InChI Key
PQAQKWCWCGKBDS-NTSWFWBYSA-N
Formula
C6H12S
SMILES
CC1CCSC1C
Molecular Weight1
116.22
CAS
5161-78-4
Other Names
  • 2,3-Dimethyltetrahydrothiophene , (E)-
  • trans-2,3-Dimethyl-thiacyclopentane
Sources

Physical Properties

Property Value Unit Source
Δf 68.34 kJ/mol Joback Calculated Property
Δfgas -81.77 kJ/mol Joback Calculated Property
Δfus 9.96 kJ/mol Joback Calculated Property
Δvap 34.71 kJ/mol Joback Calculated Property
logPoct/wat 2.15 Crippen Calculated Property
Pc 3659.77 kPa Joback Calculated Property
Tboil 395.12 K Joback Calculated Property
Tc 607.56 K Joback Calculated Property
Tfus 247.49 K Joback Calculated Property
Vc 0.36 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 182.26 J/mol×K 395.12 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-CH3 2
>CH- (ring) 2
-S- (ring) 1
-CH2- (ring) 2

Similar Compounds

Thiolane, 2,3-dimethyl. cis-2,3-Dimethylthiophane. trans-2-Ethyl-3-methylthiophane. cis-2-Ethyl-3-methylthiophane. 2,3,4-Trimethylthiolane. cis,trans-2,3,5-trimethyl-thiacyclopentane. cis,cis-2,3,5-trimethyl-thiacyclopentane. trans,trans-2,3,5-trimethyl-thiacyclopentane. trans,cis-2,3,5-trimethyl-thiacyclopentane. trans-2,4-dimethyl-thiacyclopentane. 2,4-Dimethyltetrahydrothiophene. cis-2,4-dimethyl-thiacyclopentane. 3-Ethylthiolane. 2,3-dimethyl-4-thianonane. 2-isopropyl-thiacyclopentane.

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