- InChI
- InChI=1S/C11H15NO3/c1-3-8-15-11(13)12-9-4-6-10(14-2)7-5-9/h4-7H,3,8H2,1-2H3,(H,12,13)
- InChI Key
- DBQISPFSTBONKB-UHFFFAOYSA-N
- Formula
- C11H15NO3
- SMILES
- CCCOC(=O)Nc1ccc(OC)cc1
- Molecular Weight1
- 209.24
- CAS
- 91247-72-2
- 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 | 0.7156 | Relay (1.0) Calculated Property | |
| ΔfG° | -105.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -477.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.654 | Crippen Calculated Property | |
| McVol | 165.380 | ml/mol | McGowan Calculated Property |
| Pc | 2724.01 | kPa | Joback Calculated Property |
| Tboil | 588.27 | K | Relay (1.0) Calculated Property |
| Tc | 796.21 | K | Relay (1.0) Calculated Property |
| Tfus | 356.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.605 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [420.86; 492.01] | J/mol×K | [631.62; 839.60] | 
|
| Cp,gas | 420.86 | J/mol×K | 631.62 | Joback Calculated Property |
| Cp,gas | 434.64 | J/mol×K | 666.28 | Joback Calculated Property |
| Cp,gas | 447.65 | J/mol×K | 700.95 | Joback Calculated Property |
| Cp,gas | 459.89 | J/mol×K | 735.61 | Joback Calculated Property |
| Cp,gas | 471.36 | J/mol×K | 770.27 | Joback Calculated Property |
| Cp,gas | 482.06 | J/mol×K | 804.93 | Joback Calculated Property |
| Cp,gas | 492.01 | J/mol×K | 839.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to P-methoxy carbanilic acid, n-propyl ester.
Sources
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