Chemical Properties of Benzenepropanoic acid, 4-hydroxy-, methyl ester (CAS 5597-50-2)

Benzenepropanoic acid, 4-hydroxy-, methyl ester

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InChI
InChI=1S/C10H12O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-3,5-6,11H,4,7H2,1H3
InChI Key
XRAMJHXWXCMGJM-UHFFFAOYSA-N
Formula
C10H12O3
SMILES
COC(=O)CCc1ccc(O)cc1
Molecular Weight1
180.20
CAS
5597-50-2
Other Names
  • 3-(4-Hydroxyphenyl)propionic acid, methyl ester
  • Hydrocinnamic acid, p-hydroxy-, methyl ester
  • Methyl 3-(4-hydroxyphenyl)propanoate
  • Methyl 3-(4-hydroxyphenyl)propionate
  • Methyl 3-(p-hydroxyphenyl)propionate
  • Methyl 4-hydroxyhydrocinnamate
  • Methyl p-hydroxyhydrocinnamate
  • Propanoic acid, 3-(4-hydroxyphenyl), methyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -242.81 kJ/mol Joback Calculated Property
Δfgas -435.31 kJ/mol Joback Calculated Property
Δfus 24.27 kJ/mol Joback Calculated Property
Δvap 62.30 kJ/mol Joback Calculated Property
logPoct/wat 1.50 Crippen Calculated Property
Pc 3664.21 kPa Joback Calculated Property
Tboil 381.20 K NIST
Tc 835.24 K Joback Calculated Property
Tfus 412.76 K Joback Calculated Property
Vc 0.48 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 350.48 J/mol×K 611.79 Joback Calculated Property
η 0.00 Pa×s 611.79 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

4-Hydroxyphenylpropionic acid. Benzenepropanoic acid, 4-methoxy-, methyl ester. 3-Phenylpropanoic acid methyl ester. 3-(4-Methoxyphenyl)propionic acid. Benzenepropanoic acid, ethyl ester. 3-(4-Hydroxyphenyl)propanal. 3-(4-Methoxy-phenyl)-2-methyl-propionic acid, methyl ester. 3-(3-Hydroxyphenyl)propionic acid. Ethyl 3-(2-hydroxyphenyl)propanoate. Benzenepropanoic acid, 4-hydroxy-.alpha.-oxo-. Benzenepropanoic acid, 3-phenylpropyl ester. Benzenepropanoic acid 1-methylethyl ester. Tyrosine. Tyrosine. 2-Amino-3-(4-hydroxyphenyl)-propanoic acid.

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