- InChI
- InChI=1S/C12H17NO3/c1-3-4-9-16-12(14)13-10-5-7-11(15-2)8-6-10/h5-8H,3-4,9H2,1-2H3,(H,13,14)
- InChI Key
- RICFGOZAGKHWPX-UHFFFAOYSA-N
- Formula
- C12H17NO3
- SMILES
- CCCCOC(=O)Nc1ccc(OC)cc1
- Molecular Weight1
- 223.27
- CAS
- 91644-88-1
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7580 | Relay (1.0) Calculated Property | |
| ΔfG° | -96.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -494.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.71 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.044 | Crippen Calculated Property | |
| McVol | 179.470 | ml/mol | McGowan Calculated Property |
| Pc | 2470.27 | kPa | Joback Calculated Property |
| Tboil | 594.44 | K | Relay (1.0) Calculated Property |
| Tc | 809.32 | K | Relay (1.0) Calculated Property |
| Tfus | 340.90 | K | Relay (1.0) Calculated Property |
| Vc | 0.657 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [471.35; 545.47] | J/mol×K | [654.50; 859.45] | 
|
| Cp,gas | 471.35 | J/mol×K | 654.50 | Joback Calculated Property |
| Cp,gas | 485.73 | J/mol×K | 688.66 | Joback Calculated Property |
| Cp,gas | 499.29 | J/mol×K | 722.82 | Joback Calculated Property |
| Cp,gas | 512.04 | J/mol×K | 756.97 | Joback Calculated Property |
| Cp,gas | 523.99 | J/mol×K | 791.13 | Joback Calculated Property |
| Cp,gas | 535.13 | J/mol×K | 825.29 | Joback Calculated Property |
| Cp,gas | 545.47 | J/mol×K | 859.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to P-methoxy carbanilic acid, n-butyl ester.
Sources
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