- InChI
- InChI=1S/C8H9NO3/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4,10H,9H2,1H3
- InChI Key
- OCZXDVNSNDITBS-UHFFFAOYSA-N
- Formula
- C8H9NO3
- SMILES
- COC(=O)c1ccc(N)c(O)c1
- Molecular Weight1
- 167.16
- CAS
- 63435-16-5
- 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° | -202.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -371.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.15 | kJ/mol | Joback Calculated Property |
| log10WS | -0.90 | Crippen Calculated Property | |
| logPoct/wat | 0.761 | Crippen Calculated Property | |
| McVol | 123.110 | ml/mol | McGowan Calculated Property |
| Pc | 4973.33 | kPa | Joback Calculated Property |
| Tboil | 643.54 | K | Joback Calculated Property |
| Tc | 883.84 | K | Joback Calculated Property |
| Tfus | 486.00 | K | Joback Calculated Property |
| Vc | 0.395 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [307.53; 357.56] | J/mol×K | [643.54; 883.84] | 
|
| Cp,gas | 307.53 | J/mol×K | 643.54 | Joback Calculated Property |
| Cp,gas | 317.32 | J/mol×K | 683.59 | Joback Calculated Property |
| Cp,gas | 326.45 | J/mol×K | 723.64 | Joback Calculated Property |
| Cp,gas | 334.97 | J/mol×K | 763.69 | Joback Calculated Property |
| Cp,gas | 342.95 | J/mol×K | 803.74 | Joback Calculated Property |
| Cp,gas | 350.46 | J/mol×K | 843.79 | Joback Calculated Property |
| Cp,gas | 357.56 | J/mol×K | 883.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-amino-3-hydroxy-, methyl ester.
Sources
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