- InChI
- InChI=1S/C20H33NO3/c1-3-4-5-6-7-8-9-10-11-12-17-24-20(22)21-18-13-15-19(23-2)16-14-18/h13-16H,3-12,17H2,1-2H3,(H,21,22)
- InChI Key
- QCJVRXWWZWPGIV-UHFFFAOYSA-N
- Formula
- C20H33NO3
- SMILES
-
CCCCCCCCCCCCOC(=O)Nc1ccc(OC)cc
1 - Molecular Weight1
- 335.48
- CAS
- 116373-20-7
- 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 | 1.0637 | Relay (1.0) Calculated Property | |
| ΔfG° | -29.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -665.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 116.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.165 | Crippen Calculated Property | |
| McVol | 292.190 | ml/mol | McGowan Calculated Property |
| Pc | 1293.93 | kPa | Joback Calculated Property |
| Tboil | 654.86 | K | Relay (1.0) Calculated Property |
| Tc | 884.02 | K | Relay (1.0) Calculated Property |
| Tfus | 356.51 | K | Relay (1.0) Calculated Property |
| Vc | 1.096 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [918.83; 1004.71] | J/mol×K | [837.54; 1034.30] | 
|
| Cp,gas | 918.83 | J/mol×K | 837.54 | Joback Calculated Property |
| Cp,gas | 935.89 | J/mol×K | 870.33 | Joback Calculated Property |
| Cp,gas | 951.81 | J/mol×K | 903.13 | Joback Calculated Property |
| Cp,gas | 966.62 | J/mol×K | 935.92 | Joback Calculated Property |
| Cp,gas | 980.36 | J/mol×K | 968.71 | Joback Calculated Property |
| Cp,gas | 993.05 | J/mol×K | 1001.50 | Joback Calculated Property |
| Cp,gas | 1004.71 | J/mol×K | 1034.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to P-methoxy carbanilic acid, n-dodecyl ester.
Sources
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