Chemical Properties of Benzoic acid, 4-methoxy-, heptyl ester (CAS 5452-08-4)

Benzoic acid, 4-methoxy-, heptyl ester

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InChI
InChI=1S/C15H22O3/c1-3-4-5-6-7-12-18-15(16)13-8-10-14(17-2)11-9-13/h8-11H,3-7,12H2,1-2H3
InChI Key
OEYMSYGFUQPUKZ-UHFFFAOYSA-N
Formula
C15H22O3
SMILES
CCCCCCCOC(=O)c1ccc(OC)cc1
Molecular Weight1
250.33
CAS
5452-08-4
Other Names
  • p-Methoxybenzoic acid, heptyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -160.72 kJ/mol Joback Calculated Property
Δfgas -504.89 kJ/mol Joback Calculated Property
Δfus 32.23 kJ/mol Joback Calculated Property
Δvap 63.49 kJ/mol Joback Calculated Property
logPoct/wat 3.82 Crippen Calculated Property
Pc 1869.17 kPa Joback Calculated Property
Tboil 672.97 K Joback Calculated Property
Tc 869.94 K Joback Calculated Property
Tfus 392.14 K Joback Calculated Property
Vc 0.81 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 574.00 J/mol×K 672.97 Joback Calculated Property
η 0.00 Pa×s 672.97 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>C=O (nonring) 1
=CH- (ring) 4
=C< (ring) 2
-CH2- 6
-CH3 2

Similar Compounds

Benzoic acid, 4-methoxy-, undecyl ester. Benzoic acid, 4-methoxy-, decyl ester. P-methoxybenzoic acid, tridecyl ester. p-Methoxybenzoic acid, hexadecyl ester. Benzoic acid, 4-methoxy-, nonyl ester. p-Methoxybenzoic acid, octyl ester. p-Methoxybenzoic acid, tetradecyl ester. Benzoic acid, 4-methoxy-, pentadecyl ester. P-methoxybenzoic acid, octadecyl ester. P-anisic acid, heptadecyl ester. p-Methoxybenzoic acid, hexyl ester. Amyl anisate. 4-Methoxybenzoic acid, 8-chlorooctyl ester. Benzoic acid, 4-methoxy-, butyl ester. Octyl p-butoxybenzoate.

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