Chemical Properties of Valeric acid, 3,5-dimethylphenyl ester

Valeric acid, 3,5-dimethylphenyl ester

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InChI
InChI=1S/C13H18O2/c1-4-5-6-13(14)15-12-8-10(2)7-11(3)9-12/h7-9H,4-6H2,1-3H3
InChI Key
PIHWIWOYAKQTRP-UHFFFAOYSA-N
Formula
C13H18O2
SMILES
CCCCC(=O)Oc1cc(C)cc(C)c1
Molecular Weight1
206.28
Sources

Physical Properties

Property Value Unit Source
Δf -82.19 kJ/mol Joback Calculated Property
Δfgas -342.86 kJ/mol Joback Calculated Property
Δfus 25.48 kJ/mol Joback Calculated Property
Δvap 57.29 kJ/mol Joback Calculated Property
logPoct/wat 3.40 Crippen Calculated Property
Pc 2227.09 kPa Joback Calculated Property
Tboil 609.77 K Joback Calculated Property
Tc 814.57 K Joback Calculated Property
Tfus 359.89 K Joback Calculated Property
Vc 0.68 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 442.69 J/mol×K 609.77 Joback Calculated Property
η 0.00 Pa×s 609.77 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

5-Bromovaleric acid, 3,5-dimethylphenyl ester. Glutaric acid, di(3,5-dimethylphenyl) ester. Butyric acid, 3,5-dimethylphenyl ester. Lauric acid, 3,5-dimethylphenyl ester. Sebacic acid, di(3,5-dimethylphenyl) ester. Octanoic acid, 3,5-dimethylphenyl ester. Valeric acid, 3-methylphenyl ester. 4-Bromobutyric acid, 3,5-dimethylphenyl ester. 5-Bromovaleric acid, 3-methylphenyl ester. Glutaric acid, di(3-methylphenyl) ester. 4-Chlorobutyric acid, 3,5-dimethylphenyl ester. Butanoic acid, 3-methylphenyl ester. 5-Chlorovaleric acid, 3-methylphenyl ester. Octanoic acid, 3-methylphenyl ester. Myristic acid, 3-methylphenyl ester.

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