- 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
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -283.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -434.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.34 | kJ/mol | Joback Calculated Property |
| log10WS | -1.34 | Crippen Calculated Property | |
| logPoct/wat | 1.409 | Crippen Calculated Property | |
| McVol | 127.220 | ml/mol | McGowan Calculated Property |
| Pc | 4775.98 | kPa | Joback Calculated Property |
| Inp | 1653.60 | NIST | |
| Tboil | 658.67 | K | Joback Calculated Property |
| Tc | 871.60 | K | Joback Calculated Property |
| Tfus | 402.50 ± 0.50 | K | NIST |
| Vc | 0.422 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [325.04; 372.09] | J/mol×K | [658.67; 871.60] | 
|
| Cp,gas | 325.04 | J/mol×K | 658.67 | Joback Calculated Property |
| Cp,gas | 334.12 | J/mol×K | 694.16 | Joback Calculated Property |
| Cp,gas | 342.62 | J/mol×K | 729.65 | Joback Calculated Property |
| Cp,gas | 350.59 | J/mol×K | 765.14 | Joback Calculated Property |
| Cp,gas | 358.12 | J/mol×K | 800.63 | Joback Calculated Property |
| Cp,gas | 365.26 | J/mol×K | 836.12 | Joback Calculated Property |
| Cp,gas | 372.09 | J/mol×K | 871.60 | Joback Calculated Property |
| η | [0.0000093; 0.0006700] | Pa×s | [440.08; 658.67] |
|
| η | 0.0006700 | Pa×s | 440.08 | Joback Calculated Property |
| η | 0.0002502 | Pa×s | 476.51 | Joback Calculated Property |
| η | 0.0001075 | Pa×s | 512.94 | Joback Calculated Property |
| η | 0.0000516 | Pa×s | 549.38 | Joback Calculated Property |
| η | 0.0000272 | Pa×s | 585.81 | Joback Calculated Property |
| η | 0.0000154 | Pa×s | 622.24 | Joback Calculated Property |
| η | 0.0000093 | Pa×s | 658.67 | Joback Calculated Property |
| ΔfusH | 28.90 | kJ/mol | 402.50 | NIST |
Similar Compounds
Find more compounds similar to Benzenepropanoic acid, 4-hydroxy-.
Sources
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