- InChI
- InChI=1S/C10H13NO2/c1-3-11-9-6-4-8(5-7-9)10(12)13-2/h4-7,11H,3H2,1-2H3
- InChI Key
- QNRGFOGJMSRYIH-UHFFFAOYSA-N
- Formula
- C10H13NO2
- SMILES
- CCNc1ccc(C(=O)OC)cc1
- Molecular Weight1
- 179.22
- 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 | 0.5973 | Relay (1.0) Calculated Property | |
| ΔfG° | -8.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -309.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.905 | Crippen Calculated Property | |
| McVol | 145.420 | ml/mol | McGowan Calculated Property |
| Pc | 3076.16 | kPa | Joback Calculated Property |
| Inp | 1682.00 | NIST | |
| Tboil | 551.28 | K | Relay (1.0) Calculated Property |
| Tc | 763.11 | K | Relay (1.0) Calculated Property |
| Tfus | 359.17 | K | Relay (1.0) Calculated Property |
| Vc | 0.519 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [347.62; 416.30] | J/mol×K | [586.32; 800.02] | 
|
| Cp,gas | 347.62 | J/mol×K | 586.32 | Joback Calculated Property |
| Cp,gas | 360.93 | J/mol×K | 621.94 | Joback Calculated Property |
| Cp,gas | 373.47 | J/mol×K | 657.55 | Joback Calculated Property |
| Cp,gas | 385.26 | J/mol×K | 693.17 | Joback Calculated Property |
| Cp,gas | 396.32 | J/mol×K | 728.79 | Joback Calculated Property |
| Cp,gas | 406.66 | J/mol×K | 764.40 | Joback Calculated Property |
| Cp,gas | 416.30 | J/mol×K | 800.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-(ethylamino)-, methyl ester.
Sources
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