- InChI
- InChI=1S/C16H19NO5/c1-11(2)10-17-14(18)8-9-15(19)22-16-12(20-3)6-5-7-13(16)21-4/h5-9H,1,10H2,2-4H3,(H,17,18)/b9-8+
- InChI Key
- UEZMHPIFWJTKEG-CMDGGOBGSA-N
- Formula
- C16H19NO5
- SMILES
-
C=C(C)CNC(=O)C=CC(=O)Oc1c(OC)c
ccc1OC - Molecular Weight1
- 305.33
- 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 | 0.8445 | Relay (1.0) Calculated Property | |
| ΔfG° | -146.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -599.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.26 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.858 | Crippen Calculated Property | |
| McVol | 234.670 | ml/mol | McGowan Calculated Property |
| Pc | 1947.51 | kPa | Joback Calculated Property |
| Inp | 2623.00 | NIST | |
| Tboil | 634.45 | K | Relay (1.0) Calculated Property |
| Tc | 855.15 | K | Relay (1.0) Calculated Property |
| Tfus | 389.07 | K | Relay (1.0) Calculated Property |
| Vc | 0.810 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [677.85; 740.80] | J/mol×K | [828.01; 1042.08] | 
|
| Cp,gas | 677.85 | J/mol×K | 828.01 | Joback Calculated Property |
| Cp,gas | 690.86 | J/mol×K | 863.69 | Joback Calculated Property |
| Cp,gas | 702.85 | J/mol×K | 899.37 | Joback Calculated Property |
| Cp,gas | 713.82 | J/mol×K | 935.04 | Joback Calculated Property |
| Cp,gas | 723.79 | J/mol×K | 970.72 | Joback Calculated Property |
| Cp,gas | 732.78 | J/mol×K | 1006.40 | Joback Calculated Property |
| Cp,gas | 740.80 | J/mol×K | 1042.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, monoamide, N-methallyl-, 2,6-dimethoxyphenyl ester.
Sources
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