Chemical Properties of Hexanoic acid, phenyl ester (CAS 7780-16-7)

Hexanoic acid, phenyl ester

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InChI
InChI=1S/C12H16O2/c1-2-3-5-10-12(13)14-11-8-6-4-7-9-11/h4,6-9H,2-3,5,10H2,1H3
InChI Key
SOOXQKVMQBCEGW-UHFFFAOYSA-N
Formula
C12H16O2
SMILES
CCCCCC(=O)Oc1ccccc1
Molecular Weight1
192.25
CAS
7780-16-7
Other Names
  • Phenyl caproate
  • Phenyl hexanoate
Sources

Physical Properties

Property Value Unit Source
Δf -71.35 kJ/mol Joback Calculated Property
Δfgas -299.28 kJ/mol Joback Calculated Property
Δfus 23.66 kJ/mol Joback Calculated Property
Δvap 53.74 kJ/mol Joback Calculated Property
logPoct/wat 3.17 Crippen Calculated Property
Pc 2517.59 kPa Joback Calculated Property
Tboil 576.93 K Joback Calculated Property
Tc 782.93 K Joback Calculated Property
Tfus 323.58 K Joback Calculated Property
Vc 0.62 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 394.04 J/mol×K 576.93 Joback Calculated Property
η 0.00 Pa×s 576.93 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH3 1
=CH- (ring) 5
=C< (ring) 1
-CH2- 4
>C=O (nonring) 1

Similar Compounds

Heptanoic acid, phenyl ester. Adipic acid, diphenyl ester. Myristic acid, phenyl ester. Sebacic acid, diphenyl ester. Pentanoic acid, phenyl ester. Myristic acid, 4-methoxyphenyl ester. Octanoic acid, 4-methoxyphenyl ester. Valeric acid, 4-methoxyphenyl ester. Butanoic acid, phenyl ester. 6-Bromohexanoic acid, 4-methoxyphenyl ester. Sebacic acid, di(4-isopropoxyphenyl) ester. 5-Bromovaleric acid, 4-methoxyphenyl ester. Glutaric acid, di(4-methoxyphenyl) ester. 5-Chlorovaleric acid, 4-methoxyphenyl ester. Sebacic acid, ethyl phenyl ester.

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