Chemical Properties of 2(5H)-Thiophenone, 5-methyl- (CAS 7210-64-2)

2(5H)-Thiophenone, 5-methyl-

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InChI
InChI=1S/C5H6OS/c1-4-2-3-5(6)7-4/h2-4H,1H3
InChI Key
QDQVRZPVOVZFMA-UHFFFAOYSA-N
Formula
C5H6OS
SMILES
CC1C=CC(=O)S1
Molecular Weight1
114.17
CAS
7210-64-2
Other Names
  • 5-Methyl-2(5H)-thiophenone
Sources

Physical Properties

Property Value Unit Source
Δf -25.00 kJ/mol Joback Calculated Property
Δfgas -120.71 kJ/mol Joback Calculated Property
Δfus 7.03 kJ/mol Joback Calculated Property
Δvap 37.33 kJ/mol Joback Calculated Property
IE 9.16 ± 0.05 eV NIST
logPoct/wat 1.20 Crippen Calculated Property
Pc 4736.62 kPa Joback Calculated Property
Tboil 443.89 K Joback Calculated Property
Tc 683.84 K Joback Calculated Property
Tfus 309.44 K Joback Calculated Property
Vc 0.30 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 153.55 J/mol×K 443.89 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

2(5H)-Thiophenone. 3-methyl-2-oxo-2,5-dihydro-thiophene. allyl thioacetate. Ethanethioic acid, s-(1-methylethyl) ester. Allyl thiopropionate. 2-Formyl-5-methyl-2,5-dihydrothiophene. 2,5-Dihydrothiophen-2-one, 3,4-dimethyl. t-Butyl thiolacetate. Propanethioic acid, s-(1-methylethyl) ester. Ethanethioic acid, s-(1-methylpropyl) ester. 3,4-Dimethylthiophene-2,5-dione. 3.4-dimethyl-2,5-dioxo-2,5-dihydrothiophene. trans-1-(Isopropylthio)-2-butene. 2-Butene, 1-[(1-methylethyl)thio]-, (Z)-. Ethanethioic acid, S-(1-hydroxy-1-methylethyl) ester.

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