- InChI
- InChI=1S/C11H13NO4/c1-7(13)12-10(11(15)16)6-8-2-4-9(14)5-3-8/h2-5,10,14H,6H2,1H3,(H,12,13)(H,15,16)
- InChI Key
- CAHKINHBCWCHCF-UHFFFAOYSA-N
- Formula
- C11H13NO4
- SMILES
- CC(=O)NC(Cc1ccc(O)cc1)C(=O)O
- Molecular Weight1
- 223.23
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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).
- 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° | -308.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -540.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.59 | kJ/mol | Joback Calculated Property |
| log10WS | 9.00e-03 | Aq. Sol... | |
| logPoct/wat | 0.524 | Crippen Calculated Property | |
| McVol | 166.950 | ml/mol | McGowan Calculated Property |
| Pc | 4135.61 | kPa | Joback Calculated Property |
| Tboil | 808.03 | K | Joback Calculated Property |
| Tc | 1024.71 | K | Joback Calculated Property |
| Tfus | 550.21 | K | Joback Calculated Property |
| Vc | 0.570 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [479.95; 530.03] | J/mol×K | [808.03; 1024.71] | 
|
| Cp,gas | 479.95 | J/mol×K | 808.03 | Joback Calculated Property |
| Cp,gas | 489.33 | J/mol×K | 844.14 | Joback Calculated Property |
| Cp,gas | 498.18 | J/mol×K | 880.26 | Joback Calculated Property |
| Cp,gas | 506.60 | J/mol×K | 916.37 | Joback Calculated Property |
| Cp,gas | 514.66 | J/mol×K | 952.48 | Joback Calculated Property |
| Cp,gas | 522.45 | J/mol×K | 988.59 | Joback Calculated Property |
| Cp,gas | 530.03 | J/mol×K | 1024.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-acetamido-3-(4-hydroxyphenyl)propanoic acid.
Sources
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