Chemical Properties of Heptanoic acid, phenyl ester (CAS 56052-14-3)

Heptanoic acid, phenyl ester

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C13H18O2/c1-2-3-4-8-11-13(14)15-12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3
InChI Key
USVUMWSMZMQXIZ-UHFFFAOYSA-N
Formula
C13H18O2
SMILES
CCCCCCC(=O)Oc1ccccc1
Molecular Weight1
206.28
CAS
56052-14-3
Sources

Physical Properties

Property Value Unit Source
Δf -62.93 kJ/mol Joback Calculated Property
Δfgas -319.92 kJ/mol Joback Calculated Property
Δfus 26.25 kJ/mol Joback Calculated Property
Δvap 55.96 kJ/mol Joback Calculated Property
logPoct/wat 3.56 Crippen Calculated Property
Pc 2291.52 kPa Joback Calculated Property
Tboil 448.65 ± 0.50 K NIST
Tc 802.73 K Joback Calculated Property
Tfus 334.85 K Joback Calculated Property
Vc 0.68 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 443.32 J/mol×K 599.81 Joback Calculated Property
η 0.00 Pa×s 599.81 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Myristic acid, phenyl ester. Sebacic acid, diphenyl ester. Hexanoic acid, phenyl ester. Adipic acid, diphenyl ester. Pentanoic acid, phenyl ester. Myristic acid, 4-methoxyphenyl ester. Octanoic acid, 4-methoxyphenyl ester. Sebacic acid, di(4-isopropoxyphenyl) ester. Valeric acid, 4-methoxyphenyl ester. Butanoic acid, phenyl ester. 6-Bromohexanoic acid, 4-methoxyphenyl ester. Sebacic acid, ethyl phenyl ester. Sebacic acid, phenyl propyl ester. Sebacic acid, butyl phenyl ester. Octanoic acid, 4-chlorophenyl ester.

Find more compounds similar to Heptanoic acid, phenyl ester.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.