- InChI
- InChI=1S/C15H17NO5/c1-4-10-16-13(17)8-9-14(18)21-15-11(19-2)6-5-7-12(15)20-3/h4-9H,1,10H2,2-3H3,(H,16,17)/b9-8+
- InChI Key
- PGCWKNKGGMFTEF-CMDGGOBGSA-N
- Formula
- C15H17NO5
- SMILES
-
C=CCNC(=O)C=CC(=O)Oc1c(OC)cccc
1OC - Molecular Weight1
- 291.30
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -146.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -465.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.03 | kJ/mol | Joback Calculated Property |
| log10WS | -2.79 | Crippen Calculated Property | |
| logPoct/wat | 1.468 | Crippen Calculated Property | |
| McVol | 220.580 | ml/mol | McGowan Calculated Property |
| Pc | 2113.89 | kPa | Joback Calculated Property |
| Inp | 2543.00 | NIST | |
| Tboil | 805.25 | K | Joback Calculated Property |
| Tc | 1018.58 | K | Joback Calculated Property |
| Tfus | 522.64 | K | Joback Calculated Property |
| Vc | 0.830 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [622.79; 683.89] | J/mol×K | [805.25; 1018.58] | 
|
| Cp,gas | 622.79 | J/mol×K | 805.25 | Joback Calculated Property |
| Cp,gas | 635.37 | J/mol×K | 840.80 | Joback Calculated Property |
| Cp,gas | 646.98 | J/mol×K | 876.36 | Joback Calculated Property |
| Cp,gas | 657.62 | J/mol×K | 911.91 | Joback Calculated Property |
| Cp,gas | 667.32 | J/mol×K | 947.47 | Joback Calculated Property |
| Cp,gas | 676.07 | J/mol×K | 983.02 | Joback Calculated Property |
| Cp,gas | 683.89 | J/mol×K | 1018.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, monoamide, N-allyl-, 2,6-dimethoxyphenyl ester.
Sources
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