- InChI
- InChI=1S/C13H19NO2/c1-5-16-12(15)14-11-9-7-6-8-10(11)13(2,3)4/h6-9H,5H2,1-4H3,(H,14,15)
- InChI Key
- JMCPSSGDDONVOA-UHFFFAOYSA-N
- Formula
- C13H19NO2
- SMILES
- CCOC(=O)Nc1ccccc1C(C)(C)C
- Molecular Weight1
- 221.30
- CAS
- 100096-59-1
- 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).
- 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° | 19.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -286.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.77 | kJ/mol | Joback Calculated Property |
| log10WS | -3.47 | Crippen Calculated Property | |
| logPoct/wat | 3.552 | Crippen Calculated Property | |
| McVol | 187.690 | ml/mol | McGowan Calculated Property |
| Pc | 2329.27 | kPa | Joback Calculated Property |
| Tboil | 651.73 | K | Joback Calculated Property |
| Tc | 866.80 | K | Joback Calculated Property |
| Tfus | 402.45 | K | Joback Calculated Property |
| Vc | 0.704 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [499.52; 579.83] | J/mol×K | [651.73; 866.80] | 
|
| Cp,gas | 499.52 | J/mol×K | 651.73 | Joback Calculated Property |
| Cp,gas | 515.34 | J/mol×K | 687.57 | Joback Calculated Property |
| Cp,gas | 530.13 | J/mol×K | 723.42 | Joback Calculated Property |
| Cp,gas | 543.93 | J/mol×K | 759.26 | Joback Calculated Property |
| Cp,gas | 556.78 | J/mol×K | 795.11 | Joback Calculated Property |
| Cp,gas | 568.73 | J/mol×K | 830.95 | Joback Calculated Property |
| Cp,gas | 579.83 | J/mol×K | 866.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbanilic acid, 2-tert-butyl-, ethyl ester.
Sources
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