Chemical Properties of Valeric acid, 3-methylphenyl ester

Valeric acid, 3-methylphenyl ester

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InChI
InChI=1S/C12H16O2/c1-3-4-8-12(13)14-11-7-5-6-10(2)9-11/h5-7,9H,3-4,8H2,1-2H3
InChI Key
MEKODTPFXNDIKN-UHFFFAOYSA-N
Formula
C12H16O2
SMILES
CCCCC(=O)Oc1cccc(C)c1
Molecular Weight1
192.25
Sources

Physical Properties

Property Value Unit Source
Δf -80.98 kJ/mol Joback Calculated Property
Δfgas -310.75 kJ/mol Joback Calculated Property
Δfus 23.27 kJ/mol Joback Calculated Property
Δvap 54.40 kJ/mol Joback Calculated Property
logPoct/wat 3.09 Crippen Calculated Property
Pc 2480.12 kPa Joback Calculated Property
Tboil 581.91 K Joback Calculated Property
Tc 788.90 K Joback Calculated Property
Tfus 336.10 K Joback Calculated Property
Vc 0.62 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 393.77 J/mol×K 581.91 Joback Calculated Property
η 0.00 Pa×s 581.91 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Glutaric acid, di(3-methylphenyl) ester. 5-Bromovaleric acid, 3-methylphenyl ester. Butanoic acid, 3-methylphenyl ester. 5-Chlorovaleric acid, 3-methylphenyl ester. Myristic acid, 3-methylphenyl ester. Sebacic acid, di(3-methylphenyl) ester. Octanoic acid, 3-methylphenyl ester. Nonoic acid, 3-methylphenyl ester. Valeric acid, 3,5-dimethylphenyl ester. 6-Chlorohexanoic acid, 3-methylphenyl ester. 5-Bromovaleric acid, 3,5-dimethylphenyl ester. 4-Bromobutyric acid, 3-methylphenyl ester. Glutaric acid, di(3,5-dimethylphenyl) ester. Butyric acid, 3,5-dimethylphenyl ester. Sebacic acid, di(3,5-dimethylphenyl) ester.

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