Chemical Properties of p-Cresyl isovalerate (CAS 55066-56-3)

p-Cresyl isovalerate

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InChI
InChI=1S/C12H16O2/c1-9(2)8-12(13)14-11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3
InChI Key
MVDPTWHTUYDLTL-UHFFFAOYSA-N
Formula
C12H16O2
SMILES
Cc1ccc(OC(=O)CC(C)C)cc1
Molecular Weight1
192.25
CAS
55066-56-3
Other Names
  • Butanoic acid, 3-methyl-, 4-methylphenyl ester
  • Isovaleric acid p-tolyl ester
  • p-Tolyl-3-methylbutyrate
  • p-tolyl isovalerate
Sources

Physical Properties

Property Value Unit Source
Δf -83.42 kJ/mol Joback Calculated Property
Δfgas -316.03 kJ/mol Joback Calculated Property
Δfus 19.75 kJ/mol Joback Calculated Property
Δvap 54.01 kJ/mol Joback Calculated Property
logPoct/wat 2.95 Crippen Calculated Property
Pc 2500.00 kPa Joback Calculated Property
Tboil 581.47 K Joback Calculated Property
Tc 792.78 K Joback Calculated Property
Tfus 321.10 K Joback Calculated Property
Vc 0.62 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 394.16 J/mol×K 581.47 Joback Calculated Property
η 0.00 Pa×s 581.47 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>CH- 1
-CH3 3
=CH- (ring) 4
=C< (ring) 2
-CH2- 1
>C=O (nonring) 1

Similar Compounds

Butyric acid, ester with p-hydroxybenzonitrile. p-Butyryloxybenzaldehyde. Para-tolyl octanoate. Adipic acid, di-p-tolyl ester. Valeric acid, 4-cyanophenyl ester. Propanoic acid, 2-methyl-, 4-methylphenyl ester. Cyclopropanecarboxylic acid, 4-cyanophenyl ester. p-Propionoxybenzaldehyde. Octanoic acid, 4-cyanophenyl ester. Succinic acid, di(4-cyanophenyl) ester. Pimelic acid, di(4-formylphenyl) ester. Glutaric acid, di(4-cyanophenyl) ester. 2-Ethylbutyric acid, 4-cyanophenyl ester. 5-Chlorovaleric acid, 4-cyanophenyl ester. 5-Bromovaleric acid, 4-cyanophenyl ester.

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