Chemical Properties of Benzenepropanoic acid, 4-hydroxy- (CAS 501-97-3)

Benzenepropanoic acid, 4-hydroxy-

InChI
InChI=1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12)
InChI Key
NMHMNPHRMNGLLB-UHFFFAOYSA-N
Formula
C9H10O3
SMILES
O=C(O)CCc1ccc(O)cc1
Molecular Weight1
166.17
CAS
501-97-3
Other Names
  • Phloretic acid
  • Hydrocinnamic acid, p-hydroxy-
  • «beta»-(p-Hydroxyphenyl)propionic acid
  • p-Hydroxyhydrocinnamic acid
  • p-Hydroxyphenylpropionic acid
  • Hydro-p-coumaric acid
  • 3-(p-Hydroxyphenyl)propionic acid
  • 3-(4-Hydroxyphenyl)propanoic acid
  • 3-(4-Hydroxyphenyl)propionic acid
  • 4-Hydroxyphenylpropionic acid
  • 3-(para-Hydroxyphenyl)-propionic acid
  • Dihydro-p-coumaric acid
  • 4-Hydroxybenzenepropanoic acid
  • 3-(4'-Hydroxyphenyl)propionic acid
  • 4-(2-Carboxyethyl)phenol
  • NSC 40949
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Physical Properties

Property Value Unit Source
ΔfH°gas -484.29 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 29.03 kJ/mol Joback Calculated Property
IE 8.41 eV Relay (1.0) Calculated Property
log10WS -1.16 Relay (1.0) Calculated Property
logPoct/wat 1.409 Crippen Calculated Property
McVol 127.220 ml/mol McGowan Calculated Property
Pc 4368.40 kPa Joback Calculated Property
Inp 1653.60 NIST
Tboil 573.80 K Relay (1.0) Calculated Property
Tc 823.63 K Relay (1.0) Calculated Property
Tfus 402.50 ± 0.50 K NIST

Cheméo can also estimate Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [327.77; 378.62] J/mol×K [658.33; 891.69] Show Hide
Cp,gas 327.77 J/mol×K 658.33 Joback Calculated Property
Cp,gas 337.69 J/mol×K 697.22 Joback Calculated Property
Cp,gas 346.90 J/mol×K 736.12 Joback Calculated Property
Cp,gas 355.50 J/mol×K 775.01 Joback Calculated Property
Cp,gas 363.59 J/mol×K 813.90 Joback Calculated Property
Cp,gas 371.26 J/mol×K 852.80 Joback Calculated Property
Cp,gas 378.62 J/mol×K 891.69 Joback Calculated Property
η [0.0000257; 0.0002657] Pa×s [489.93; 658.33] Show Hide
η 0.0002657 Pa×s 489.93 Joback Calculated Property
η 0.0001620 Pa×s 518.00 Joback Calculated Property
η 0.0001040 Pa×s 546.06 Joback Calculated Property
η 0.0000697 Pa×s 574.13 Joback Calculated Property
η 0.0000484 Pa×s 602.20 Joback Calculated Property
η 0.0000348 Pa×s 630.26 Joback Calculated Property
η 0.0000257 Pa×s 658.33 Joback Calculated Property
ΔfusH 28.90 kJ/mol 402.50 NIST

Similar Compounds

3-(4-Methoxyphenyl)propionic acid. Benzenepropanoic acid, 4-hydroxy-, methyl ester. 3-(3-Hydroxyphenyl)propionic acid. 3-(4-Hydroxyphenyl)propionic acid, trimethylsilyl ester. Benzenepropanoic acid. «beta»-(4-Hydroxy-3-methoxyphenyl)propionic acid. 3-(4-Hydroxyphenyl)propanal. 3-(4-Methylphenyl)propionic acid. 3-(4-Fluorophenyl)propionic acid. 3-(4-Hydroxyphenyl)propionic acid, pentafluoropropionate. Benzenepropanoic acid, 4-methoxy-, methyl ester. 3-(4-Hydroxyphenyl)propionitrile. 3-(3-Methoxyphenyl)propanoic acid. 3-(3,4-Dimethoxyphenyl)propionic acid. 3-(4-Chlorophenyl)propionic acid.

Find more compounds similar to Benzenepropanoic acid, 4-hydroxy-.

Sources

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