- InChI
- InChI=1S/C11H15NO2/c1-3-8(2)12-10-7-5-4-6-9(10)11(13)14/h4-8,12H,3H2,1-2H3,(H,13,14)
- InChI Key
- SQURSWNVGJILTD-UHFFFAOYSA-N
- Formula
- C11H15NO2
- SMILES
- CCC(C)Nc1ccccc1C(=O)O
- 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° | -34.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -261.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.49 | kJ/mol | Joback Calculated Property |
| log10WS | -2.91 | Crippen Calculated Property | |
| logPoct/wat | 2.595 | Crippen Calculated Property | |
| McVol | 159.510 | ml/mol | McGowan Calculated Property |
| Pc | 3149.09 | kPa | Joback Calculated Property |
| Inp | [1634.00; 1634.00] |
|
|
| Inp | 1634.00 | NIST | |
| Inp | 1634.00 | NIST | |
| Tboil | 678.52 | K | Joback Calculated Property |
| Tc | 881.02 | K | Joback Calculated Property |
| Tfus | 401.08 | K | Joback Calculated Property |
| Vc | 0.598 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [424.24; 484.93] | J/mol×K | [678.52; 881.02] |
|
| Cp,gas | 424.24 | J/mol×K | 678.52 | Joback Calculated Property |
| Cp,gas | 436.09 | J/mol×K | 712.27 | Joback Calculated Property |
| Cp,gas | 447.20 | J/mol×K | 746.02 | Joback Calculated Property |
| Cp,gas | 457.61 | J/mol×K | 779.77 | Joback Calculated Property |
| Cp,gas | 467.35 | J/mol×K | 813.52 | Joback Calculated Property |
| Cp,gas | 476.45 | J/mol×K | 847.27 | Joback Calculated Property |
| Cp,gas | 484.93 | J/mol×K | 881.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-(1-methylpropyl)amino-.
Sources
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