Chemical Properties of 3-Phenylpropanoic acid (CAS 501-52-0)

3-Phenylpropanoic acid

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InChI
InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
InChI Key
XMIIGOLPHOKFCH-UHFFFAOYSA-N
Formula
C9H10O2
SMILES
O=C(O)CCc1ccccc1
Molecular Weight1
150.17
CAS
501-52-0
Other Names
  • 3-Phenylpropanoic acid
  • 3-Phenylpropionic acid
  • Benzenepropanoic acid
  • Benzenepropionic acid
  • Benzylacetic acid
  • Dihydrocinnamic acid
  • NSC 9272
  • Phenylpropanoic acid
  • Phenylpropionic acid
  • «beta»-Phenylpropanoic acid
  • «beta»-Phenylpropionic acid
Sources

Physical Properties

Property Value Unit Source
Δf -128.43 kJ/mol Joback Calculated Property
Δfgas -257.37 kJ/mol Joback Calculated Property
Δfus 18.79 kJ/mol Joback Calculated Property
Δsub 102.40 ± 0.80 kJ/mol NIST
Δvap 61.33 kJ/mol Joback Calculated Property
IE 9.00 ± 0.10 eV NIST
logPoct/wat 1.70 Crippen Calculated Property
Pc 3925.85 kPa Joback Calculated Property
Tboil 553.00 K NIST
Tc 781.24 K Joback Calculated Property
Tfus [320.00; 321.60] K Show Hide
Tfus 321.00 ± 1.50 K NIST
Tfus 321.15 ± 1.50 K NIST
Tfus 320.00 ± 1.00 K NIST
Tfus 321.60 ± 0.10 K NIST
Vc 0.46 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 281.36 J/mol×K 578.05 Joback Calculated Property
η 0.00 Pa×s 578.05 Joback Calculated Property
ΔfusH [15.56; 17.68] kJ/mol [321.20; 321.60] Show Hide
ΔfusH 15.61 kJ/mol 321.2 NIST
ΔfusH 17.68 kJ/mol 321.2 NIST
ΔfusH 17.68 kJ/mol 321.2 NIST
ΔfusH 15.56 kJ/mol 321.6 NIST
ΔsubH 102.00 ± 0.70 kJ/mol 310.0 NIST
ΔvapH 67.00 kJ/mol 464.0 NIST
ΔfusS 48.40 J/mol×K 321.6 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 1
-OH (alcohol) 1
>C=O (nonring) 1
-CH2- 2
=CH- (ring) 5

Similar Compounds

p-Methylhydrocinnamic acid. 3-Phenylpropanoic acid methyl ester. 3-(3-Methylphenyl)propionic acid. Benzenepropanoic acid, ethyl ester. 3-Phenylpropanal. .BETA.-(4-aminophenyl)propionic acid. Phenylpropanol. 3-Phenylpropanol. 3-(4-Chlorophenyl)propionic acid. 3-(4-Fluorophenyl)propionic acid. 4-Hydroxyphenylpropionic acid. Benzenepropanoic acid, 3-phenylpropyl ester. Benzenepropanoic acid 1-methylethyl ester. 3-Phenylbutyric acid. 3-(2-Methylphenyl)propionic acid.

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