- InChI
- InChI=1S/C11H15NO2/c1-11(2,3)14-10(13)8-5-4-6-9(12)7-8/h4-7H,12H2,1-3H3
- InChI Key
- YGIRNXMYJLWFLH-UHFFFAOYSA-N
- Formula
- C11H15NO2
- SMILES
- CC(C)(C)OC(=O)c1cccc(N)c1
- 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° | -20.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -265.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.52 | kJ/mol | Joback Calculated Property |
| log10WS | -2.72 | Crippen Calculated Property | |
| logPoct/wat | 2.224 | Crippen Calculated Property | |
| McVol | 159.510 | ml/mol | McGowan Calculated Property |
| Pc | 2966.57 | kPa | Joback Calculated Property |
| Inp | 1620.00 | NIST | |
| Tboil | 628.33 | K | Joback Calculated Property |
| Tc | 859.60 | K | Joback Calculated Property |
| Tfus | 410.51 | K | Joback Calculated Property |
| Vc | 0.586 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [408.98; 480.99] | J/mol×K | [628.33; 859.60] | 
|
| Cp,gas | 408.98 | J/mol×K | 628.33 | Joback Calculated Property |
| Cp,gas | 423.38 | J/mol×K | 666.87 | Joback Calculated Property |
| Cp,gas | 436.77 | J/mol×K | 705.42 | Joback Calculated Property |
| Cp,gas | 449.17 | J/mol×K | 743.96 | Joback Calculated Property |
| Cp,gas | 460.64 | J/mol×K | 782.51 | Joback Calculated Property |
| Cp,gas | 471.23 | J/mol×K | 821.05 | Joback Calculated Property |
| Cp,gas | 480.99 | J/mol×K | 859.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 3-amino-, tert.-butyl ester.
Sources
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