- InChI
- InChI=1S/C14H17NO3/c1-11(2)18-14(17)10-9-13(16)15(3)12-7-5-4-6-8-12/h4-11H,1-3H3/b10-9+
- InChI Key
- WCICBBMCSVTQDS-MDZDMXLPSA-N
- Formula
- C14H17NO3
- SMILES
-
CC(C)OC(=O)C=CC(=O)N(C)c1ccccc
1 - Molecular Weight1
- 247.29
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.6483 | Relay (1.0) Calculated Property | |
| ΔfG° | 5.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -422.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.157 | Crippen Calculated Property | |
| McVol | 199.050 | ml/mol | McGowan Calculated Property |
| Pc | 2347.36 | kPa | Joback Calculated Property |
| Inp | 1960.00 | NIST | |
| Tboil | 571.27 | K | Relay (1.0) Calculated Property |
| Tc | 795.43 | K | Relay (1.0) Calculated Property |
| Tfus | 344.23 | K | Relay (1.0) Calculated Property |
| Vc | 0.715 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [530.80; 605.08] | J/mol×K | [692.72; 908.46] | 
|
| Cp,gas | 530.80 | J/mol×K | 692.72 | Joback Calculated Property |
| Cp,gas | 545.59 | J/mol×K | 728.68 | Joback Calculated Property |
| Cp,gas | 559.34 | J/mol×K | 764.63 | Joback Calculated Property |
| Cp,gas | 572.11 | J/mol×K | 800.59 | Joback Calculated Property |
| Cp,gas | 583.96 | J/mol×K | 836.55 | Joback Calculated Property |
| Cp,gas | 594.93 | J/mol×K | 872.51 | Joback Calculated Property |
| Cp,gas | 605.08 | J/mol×K | 908.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, monoamide, N-methyl-N-phenyl-, isopropyl ester.
Sources
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