Chemical Properties of Nonanoic acid, 2-phenylethyl ester (CAS 57943-67-6)

Nonanoic acid, 2-phenylethyl ester

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InChI
InChI=1S/C17H26O2/c1-2-3-4-5-6-10-13-17(18)19-15-14-16-11-8-7-9-12-16/h7-9,11-12H,2-6,10,13-15H2,1H3
InChI Key
AFBMLGHBGGLHOF-UHFFFAOYSA-N
Formula
C17H26O2
SMILES
CCCCCCCCC(=O)OCCc1ccccc1
Molecular Weight1
262.39
CAS
57943-67-6
Other Names
  • Phenylethyl n-nonanoate
  • phenethyl nonanoate
Sources

Physical Properties

Property Value Unit Source
Δf -29.25 kJ/mol Joback Calculated Property
Δfgas -402.48 kJ/mol Joback Calculated Property
Δfus 36.61 kJ/mol Joback Calculated Property
Δvap 64.87 kJ/mol Joback Calculated Property
logPoct/wat 4.52 Crippen Calculated Property
Pc 1635.13 kPa Joback Calculated Property
Tboil 691.33 K Joback Calculated Property
Tc 884.75 K Joback Calculated Property
Tfus 379.93 K Joback Calculated Property
Vc 0.90 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 654.86 J/mol×K 691.33 Joback Calculated Property
η 0.00 Pa×s 691.33 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH3 1
=CH- (ring) 5
=C< (ring) 1
-CH2- 9
>C=O (nonring) 1

Similar Compounds

Phenethyl icosanoate. Phenethyl tetradecanoate. Phenethyl palmitate. Octanoic acid, 2-phenylethyl ester. Decanoic acid, 2-phenylethyl ester. 2-Phenylethyl docosanoate. Dodecanoic acid, 2-phenylethyl ester. Phenethyl stearate. Pimelic acid, ethyl phenethyl ester. Pimelic acid, di(phenethyl) ester. Heptanoic acid, 2-phenylethyl ester. Pimelic acid, phenethyl propyl ester. Hexanoic acid, 2-phenylethyl ester. Pimelic acid, butyl phenethyl ester. Pimelic acid, phenethyl tridecyl ester.

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