- InChI
- InChI=1S/C24H29NO3/c1-3-10-20(2)28-24(27)16-15-23(26)25(19-22-13-8-5-9-14-22)18-17-21-11-6-4-7-12-21/h4-9,11-16,20H,3,10,17-19H2,1-2H3/b16-15+
- InChI Key
- XFKHNKCVSDNYAB-FOCLMDBBSA-N
- Formula
- C24H29NO3
- SMILES
-
CCCC(C)OC(=O)C=CC(=O)N(CCc1ccc
cc1)Cc1ccccc1 - Molecular Weight1
- 379.49
- 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 | 0.8680 | Relay (1.0) Calculated Property | |
| ΔfG° | 201.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -369.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.546 | Crippen Calculated Property | |
| McVol | 316.190 | ml/mol | McGowan Calculated Property |
| Pc | 1378.88 | kPa | Joback Calculated Property |
| Inp | 3047.00 | NIST | |
| Tboil | 687.89 | K | Relay (1.0) Calculated Property |
| Tc | 929.85 | K | Relay (1.0) Calculated Property |
| Tfus | 321.83 | K | Relay (1.0) Calculated Property |
| Vc | 1.120 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1004.41; 1080.71] | J/mol×K | [948.20; 1174.48] | 
|
| Cp,gas | 1004.41 | J/mol×K | 948.20 | Joback Calculated Property |
| Cp,gas | 1019.61 | J/mol×K | 985.91 | Joback Calculated Property |
| Cp,gas | 1033.66 | J/mol×K | 1023.63 | Joback Calculated Property |
| Cp,gas | 1046.70 | J/mol×K | 1061.34 | Joback Calculated Property |
| Cp,gas | 1058.81 | J/mol×K | 1099.05 | Joback Calculated Property |
| Cp,gas | 1070.11 | J/mol×K | 1136.76 | Joback Calculated Property |
| Cp,gas | 1080.71 | J/mol×K | 1174.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, monoamide, N-benzyl-N-phenethyl-, 2-pentyl ester.
Sources
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