Chemical Properties of 3-methyl-2-oxo-2,5-dihydro-thiophene

3-methyl-2-oxo-2,5-dihydro-thiophene

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InChI
InChI=1S/C5H6OS/c1-4-2-3-7-5(4)6/h2H,3H2,1H3
InChI Key
XZLYVPCODCYIHS-UHFFFAOYSA-N
Formula
C5H6OS
SMILES
CC1=CCSC1=O
Molecular Weight1
114.17
Sources

Physical Properties

Property Value Unit Source
Δf -26.92 kJ/mol Joback Calculated Property
Δfgas -111.84 kJ/mol Joback Calculated Property
Δfus 5.57 kJ/mol Joback Calculated Property
Δvap 38.30 kJ/mol Joback Calculated Property
logPoct/wat 1.21 Crippen Calculated Property
Pc 4856.20 kPa Joback Calculated Property
Tboil 453.54 K Joback Calculated Property
Tc 695.30 K Joback Calculated Property
Tfus 326.20 K Joback Calculated Property
Vc 0.30 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 152.25 J/mol×K 453.54 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

2,5-Dihydrothiophen-2-one, 3,4-dimethyl. 3,4-Dimethylthiophene-2,5-dione. 3.4-dimethyl-2,5-dioxo-2,5-dihydrothiophene. 2(5H)-Thiophenone. Allyl thiopropionate. 2-Methylmercaptomethyl-2-butenal. 2-[(methylthio)-methyl]-2-butenal. (E)-2-(Methylthiomethyl)-2-butenal. 2(5H)-Thiophenone, 5-methyl-. 3,4-Dimethyl-2,5-dihidrothiophene. s-Ethyl thiopropionate. Propanethioic acid, S-propyl ester. Propanethioic acid, s-(1-methylethyl) ester. E-Thioacetic acid S-(3-chloro-2-methyl-allyl) ester. Z-Thioacetic acid S-(3-chloro-2-methyl-allyl) ester.

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