- InChI
- InChI=1S/C13H19NO3/c1-3-4-5-10-17-13(15)14-11-6-8-12(16-2)9-7-11/h6-9H,3-5,10H2,1-2H3,(H,14,15)
- InChI Key
- OSJQVPFGVXKNJR-UHFFFAOYSA-N
- Formula
- C13H19NO3
- SMILES
- CCCCCOC(=O)Nc1ccc(OC)cc1
- Molecular Weight1
- 237.29
- CAS
- 93759-92-3
- 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° | -88.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -410.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.47 | kJ/mol | Joback Calculated Property |
| log10WS | -3.53 | Crippen Calculated Property | |
| logPoct/wat | 3.434 | Crippen Calculated Property | |
| McVol | 193.560 | ml/mol | McGowan Calculated Property |
| Pc | 2250.40 | kPa | Joback Calculated Property |
| Tboil | 677.38 | K | Joback Calculated Property |
| Tc | 879.64 | K | Joback Calculated Property |
| Tfus | 422.26 | K | Joback Calculated Property |
| Vc | 0.733 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [523.25; 599.87] | J/mol×K | [677.38; 879.64] | 
|
| Cp,gas | 523.25 | J/mol×K | 677.38 | Joback Calculated Property |
| Cp,gas | 538.15 | J/mol×K | 711.09 | Joback Calculated Property |
| Cp,gas | 552.18 | J/mol×K | 744.80 | Joback Calculated Property |
| Cp,gas | 565.36 | J/mol×K | 778.51 | Joback Calculated Property |
| Cp,gas | 577.70 | J/mol×K | 812.22 | Joback Calculated Property |
| Cp,gas | 589.20 | J/mol×K | 845.93 | Joback Calculated Property |
| Cp,gas | 599.87 | J/mol×K | 879.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to P-methoxy carbanilic acid, n-pentyl ester.
Sources
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