- InChI
- InChI=1S/C10H11NO3/c1-7(12)11-9-5-3-8(4-6-9)10(13)14-2/h3-6H,1-2H3,(H,11,12)
- InChI Key
- QKWTXJSLAZKYGV-UHFFFAOYSA-N
- Formula
- C10H11NO3
- SMILES
- COC(=O)c1ccc(NC(C)=O)cc1
- Molecular Weight1
- 193.20
- CAS
- 17012-22-5
- Other Names
-
- Methyl 4-(acetylamino)benzoate
- Methyl N-acetylaminobenzoate
- methyl 4-acetamidobenzoate
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6436 | Relay (1.0) Calculated Property | |
| ΔfG° | -137.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -469.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.82 | Aq. Solubility Prediction | |
| logPoct/wat | 1.432 | Crippen Calculated Property | |
| McVol | 146.990 | ml/mol | McGowan Calculated Property |
| Pc | 3302.95 | kPa | Joback Calculated Property |
| Inp | 1896.00 | NIST | |
| Tboil | 576.06 | K | Relay (1.0) Calculated Property |
| Tc | 807.56 | K | Relay (1.0) Calculated Property |
| Tfus | 411.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.532 | m3/kmol | Relay (1.0) 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
![Benzoic acid, 4-[(1,3-dioxobutyl)amino]-.](data:image/png;base64,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)
Find more compounds similar to Benzoic acid, 4-(acetylamino)-, methyl ester.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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