Chemical Properties of Thiocyanic acid, 1,1-dimethyl-3-oxobutyl ester (CAS 26094-11-1)

Thiocyanic acid, 1,1-dimethyl-3-oxobutyl ester

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InChI
InChI=1S/C7H11NOS/c1-6(9)4-7(2,3)10-5-8/h4H2,1-3H3
InChI Key
KZOYOWHFCLDEAN-UHFFFAOYSA-N
Formula
C7H11NOS
SMILES
CC(=O)CC(C)(C)SC#N
Molecular Weight1
157.23
CAS
26094-11-1
Sources

Physical Properties

Property Value Unit Source
Δf 48.28 kJ/mol Joback Calculated Property
Δfgas -102.39 kJ/mol Joback Calculated Property
Δfus 13.71 kJ/mol Joback Calculated Property
Δvap 53.92 kJ/mol Joback Calculated Property
logPoct/wat 1.96 Crippen Calculated Property
Pc 3032.27 kPa Joback Calculated Property
Tboil 581.06 K Joback Calculated Property
Tc 809.82 K Joback Calculated Property
Tfus 320.39 K Joback Calculated Property
Vc 0.50 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 291.98 J/mol×K 581.06 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-CN 1
-CH3 3
-CH2- 1
-S- 1
>C< 1
>C=O (nonring) 1

Similar Compounds

4-(methylthio)-2-butanone. 2-Pentanone, 4-mercapto-4-methyl-. 4-Mercapto-4-methylpentan-2-one. 4-Methyl-4-mercaptopentan-2-one. 4-Mercapto-4-methyl-2-pentanone. 3-methyl-3-sulfanylbutanal. 2-Pentanone, 4-methyl-3,4-bis-(methylthio). 4,5-dihydro-5-methyl-3(2H)-thiophenone. Hexanal, 3-(methylthio). 2,2-dimethyl-thiacyclopentane. (2R,5S)-5-Methyl-2-(2-(methylthio)propan-2-yl)cyclohexanone, rel-. trans-p-Mentha-8-methylthio-3-one. 4-Mercaptopentan-2-one. 4-mercaptopentan-2-ol. 2,2-dimethyl-thiacyclohexane.

Find more compounds similar to Thiocyanic acid, 1,1-dimethyl-3-oxobutyl ester.

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