- InChI
- InChI=1S/C17H23NO5/c1-5-6-12(2)23-17(20)10-9-16(19)18-14-8-7-13(21-3)11-15(14)22-4/h7-12H,5-6H2,1-4H3,(H,18,19)/b10-9+
- InChI Key
- HNKYHNJFNMDCHA-MDZDMXLPSA-N
- Formula
- C17H23NO5
- SMILES
-
CCCC(C)OC(=O)C=CC(=O)Nc1ccc(OC
)cc1OC - Molecular Weight1
- 321.37
- 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 | 0.9003 | Relay (1.0) Calculated Property | |
| ΔfG° | -220.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -782.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.930 | Crippen Calculated Property | |
| McVol | 253.060 | ml/mol | McGowan Calculated Property |
| Pc | 1734.67 | kPa | Joback Calculated Property |
| Inp | 2745.00 | NIST | |
| Tboil | 633.26 | K | Relay (1.0) Calculated Property |
| Tc | 868.09 | K | Relay (1.0) Calculated Property |
| Tfus | 372.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.893 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [762.34; 828.26] | J/mol×K | [853.89; 1065.03] | 
|
| Cp,gas | 762.34 | J/mol×K | 853.89 | Joback Calculated Property |
| Cp,gas | 776.09 | J/mol×K | 889.08 | Joback Calculated Property |
| Cp,gas | 788.72 | J/mol×K | 924.27 | Joback Calculated Property |
| Cp,gas | 800.24 | J/mol×K | 959.46 | Joback Calculated Property |
| Cp,gas | 810.66 | J/mol×K | 994.65 | Joback Calculated Property |
| Cp,gas | 820.00 | J/mol×K | 1029.84 | Joback Calculated Property |
| Cp,gas | 828.26 | J/mol×K | 1065.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, monoamide, N-(2,4-dimethoxyphenyl)-, 2-pentyl ester.
Sources
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