- InChI
- InChI=1S/C12H17NO2/c1-2-3-7-10-15-12(14)13-11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3,(H,13,14)
- InChI Key
- BIYXGLPPMRDUNY-UHFFFAOYSA-N
- Formula
- C12H17NO2
- SMILES
- CCCCCOC(=O)Nc1ccccc1
- Molecular Weight1
- 207.27
- CAS
- 63075-06-9
- 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° | 18.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -245.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.17 | kJ/mol | Joback Calculated Property |
| log10WS | -3.41 | Crippen Calculated Property | |
| logPoct/wat | 3.425 | Crippen Calculated Property | |
| McVol | 173.600 | ml/mol | McGowan Calculated Property |
| Pc | 2550.76 | kPa | Joback Calculated Property |
| Tboil | 627.10 | K | Joback Calculated Property |
| Tc | 833.14 | K | Joback Calculated Property |
| Tfus | 376.24 | K | Joback Calculated Property |
| Vc | 0.658 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [445.98; 522.49] | J/mol×K | [627.10; 833.14] | 
|
| Cp,gas | 445.98 | J/mol×K | 627.10 | Joback Calculated Property |
| Cp,gas | 460.85 | J/mol×K | 661.44 | Joback Calculated Property |
| Cp,gas | 474.84 | J/mol×K | 695.78 | Joback Calculated Property |
| Cp,gas | 487.97 | J/mol×K | 730.12 | Joback Calculated Property |
| Cp,gas | 500.27 | J/mol×K | 764.46 | Joback Calculated Property |
| Cp,gas | 511.77 | J/mol×K | 798.80 | Joback Calculated Property |
| Cp,gas | 522.49 | J/mol×K | 833.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbanilic acid, n-pentyl ester.
Sources
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