- InChI
- InChI=1S/C17H27NO3/c1-3-4-5-6-7-8-9-14-21-17(19)18-15-10-12-16(20-2)13-11-15/h10-13H,3-9,14H2,1-2H3,(H,18,19)
- InChI Key
- RGNHAQORUPJGNE-UHFFFAOYSA-N
- Formula
- C17H27NO3
- SMILES
- CCCCCCCCCOC(=O)Nc1ccc(OC)cc1
- Molecular Weight1
- 293.40
- CAS
- 94907-38-7
- 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 | 0.9544 | Relay (1.0) Calculated Property | |
| ΔfG° | -54.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -599.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.994 | Crippen Calculated Property | |
| McVol | 249.920 | ml/mol | McGowan Calculated Property |
| Pc | 1610.29 | kPa | Joback Calculated Property |
| Tboil | 634.18 | K | Relay (1.0) Calculated Property |
| Tc | 860.49 | K | Relay (1.0) Calculated Property |
| Tfus | 351.26 | K | Relay (1.0) Calculated Property |
| Vc | 0.931 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [743.23; 826.36] | J/mol×K | [768.90; 964.70] | 
|
| Cp,gas | 743.23 | J/mol×K | 768.90 | Joback Calculated Property |
| Cp,gas | 759.54 | J/mol×K | 801.53 | Joback Calculated Property |
| Cp,gas | 774.84 | J/mol×K | 834.17 | Joback Calculated Property |
| Cp,gas | 789.16 | J/mol×K | 866.80 | Joback Calculated Property |
| Cp,gas | 802.51 | J/mol×K | 899.43 | Joback Calculated Property |
| Cp,gas | 814.90 | J/mol×K | 932.06 | Joback Calculated Property |
| Cp,gas | 826.36 | J/mol×K | 964.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to P-methoxy carbanilic acid, n-nonyl ester.
Sources
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