- InChI
- InChI=1S/C9H11NO2/c1-10-8-5-3-7(4-6-8)9(11)12-2/h3-6,10H,1-2H3
- InChI Key
- LLAMGYUWYUMHCH-UHFFFAOYSA-N
- Formula
- C9H11NO2
- SMILES
- CNc1ccc(C(=O)OC)cc1
- Molecular Weight1
- 165.19
- CAS
- 18358-63-9
- 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).
- 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 | 0.5691 | Relay (1.0) Calculated Property | |
| ΔfG° | -16.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -268.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.515 | Crippen Calculated Property | |
| McVol | 131.330 | ml/mol | McGowan Calculated Property |
| Pc | 3431.89 | kPa | Joback Calculated Property |
| Tboil | 542.94 | K | Relay (1.0) Calculated Property |
| Tc | 758.61 | K | Relay (1.0) Calculated Property |
| Tfus | 354.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.466 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [301.19; 365.43] | J/mol×K | [563.44; 780.85] | 
|
| Cp,gas | 301.19 | J/mol×K | 563.44 | Joback Calculated Property |
| Cp,gas | 313.64 | J/mol×K | 599.68 | Joback Calculated Property |
| Cp,gas | 325.37 | J/mol×K | 635.91 | Joback Calculated Property |
| Cp,gas | 336.41 | J/mol×K | 672.15 | Joback Calculated Property |
| Cp,gas | 346.75 | J/mol×K | 708.38 | Joback Calculated Property |
| Cp,gas | 356.42 | J/mol×K | 744.62 | Joback Calculated Property |
| Cp,gas | 365.43 | J/mol×K | 780.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 4(methylamino)benzoate.
Sources
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