- InChI
- InChI=1S/C13H19NO2/c1-9(2)14-12-8-6-5-7-11(12)13(15)16-10(3)4/h5-10,14H,1-4H3
- InChI Key
- OYIFFYYOMWEOTK-UHFFFAOYSA-N
- Formula
- C13H19NO2
- SMILES
- CC(C)Nc1ccccc1C(=O)OC(C)C
- Molecular Weight1
- 221.30
- 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° | 11.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -288.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.29 | kJ/mol | Joback Calculated Property |
| log10WS | -3.62 | Crippen Calculated Property | |
| logPoct/wat | 3.072 | Crippen Calculated Property | |
| McVol | 187.690 | ml/mol | McGowan Calculated Property |
| Pc | 2322.54 | kPa | Joback Calculated Property |
| Inp | [1587.00; 1587.00] |
|
|
| Inp | 1587.00 | NIST | |
| Inp | 1587.00 | NIST | |
| Tboil | 654.08 | K | Joback Calculated Property |
| Tc | 865.76 | K | Joback Calculated Property |
| Tfus | 370.03 | K | Joback Calculated Property |
| Vc | 0.703 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [497.50; 578.60] | J/mol×K | [654.08; 865.76] |
|
| Cp,gas | 497.50 | J/mol×K | 654.08 | Joback Calculated Property |
| Cp,gas | 513.34 | J/mol×K | 689.36 | Joback Calculated Property |
| Cp,gas | 528.23 | J/mol×K | 724.64 | Joback Calculated Property |
| Cp,gas | 542.17 | J/mol×K | 759.92 | Joback Calculated Property |
| Cp,gas | 555.20 | J/mol×K | 795.20 | Joback Calculated Property |
| Cp,gas | 567.33 | J/mol×K | 830.48 | Joback Calculated Property |
| Cp,gas | 578.60 | J/mol×K | 865.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-isopropylamino-, isopropyl ester.
Sources
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