- InChI
- InChI=1S/C11H15NO2/c1-3-8-12-10-6-4-9(5-7-10)11(13)14-2/h4-7,12H,3,8H2,1-2H3
- InChI Key
- NHSSHRRBSAYAPE-UHFFFAOYSA-N
- Formula
- C11H15NO2
- SMILES
- CCCNc1ccc(C(=O)OC)cc1
- Molecular Weight1
- 193.24
- 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° | -0.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -236.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.61 | kJ/mol | Joback Calculated Property |
| log10WS | -2.56 | Crippen Calculated Property | |
| logPoct/wat | 2.295 | Crippen Calculated Property | |
| McVol | 159.510 | ml/mol | McGowan Calculated Property |
| Pc | 2773.00 | kPa | Joback Calculated Property |
| Inp | [1778.00; 1778.00] |
|
|
| Inp | 1778.00 | NIST | |
| Inp | 1778.00 | NIST | |
| Tboil | 609.20 | K | Joback Calculated Property |
| Tc | 819.40 | K | Joback Calculated Property |
| Tfus | 377.49 | K | Joback Calculated Property |
| Vc | 0.603 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [395.72; 468.21] | J/mol×K | [609.20; 819.40] |
|
| Cp,gas | 395.72 | J/mol×K | 609.20 | Joback Calculated Property |
| Cp,gas | 409.76 | J/mol×K | 644.23 | Joback Calculated Property |
| Cp,gas | 422.99 | J/mol×K | 679.27 | Joback Calculated Property |
| Cp,gas | 435.44 | J/mol×K | 714.30 | Joback Calculated Property |
| Cp,gas | 447.11 | J/mol×K | 749.33 | Joback Calculated Property |
| Cp,gas | 458.03 | J/mol×K | 784.36 | Joback Calculated Property |
| Cp,gas | 468.21 | J/mol×K | 819.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-(propylamino)-, methyl ester.
Sources
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