- InChI
- InChI=1S/C10H11NO3/c1-7(12)11-9-5-3-4-8(6-9)10(13)14-2/h3-6H,1-2H3,(H,11,12)
- InChI Key
- BMBOHBXLLAKPHP-UHFFFAOYSA-N
- Formula
- C10H11NO3
- SMILES
- COC(=O)c1cccc(NC(C)=O)c1
- Molecular Weight1
- 193.20
- CAS
- 52189-36-3
- Other Names
-
- Methyl 3-acetylaminobenzoate
- 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).
- 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° | -137.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -328.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.13 | kJ/mol | Joback Calculated Property |
| log10WS | -1.92 | Crippen Calculated Property | |
| logPoct/wat | 1.432 | Crippen Calculated Property | |
| McVol | 146.990 | ml/mol | McGowan Calculated Property |
| Pc | 3302.95 | kPa | Joback Calculated Property |
| Inp | 1868.00 | NIST | |
| Tboil | 640.19 | K | Joback Calculated Property |
| Tc | 860.95 | K | Joback Calculated Property |
| Tfus | 416.15 | K | Joback Calculated Property |
| Vc | 0.552 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [362.17; 422.55] | J/mol×K | [640.19; 860.95] | 
|
| Cp,gas | 362.17 | J/mol×K | 640.19 | Joback Calculated Property |
| Cp,gas | 374.16 | J/mol×K | 676.98 | Joback Calculated Property |
| Cp,gas | 385.36 | J/mol×K | 713.78 | Joback Calculated Property |
| Cp,gas | 395.79 | J/mol×K | 750.57 | Joback Calculated Property |
| Cp,gas | 405.45 | J/mol×K | 787.37 | Joback Calculated Property |
| Cp,gas | 414.37 | J/mol×K | 824.16 | Joback Calculated Property |
| Cp,gas | 422.55 | J/mol×K | 860.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 3-(acetylamino)-, methyl ester.
Sources
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