- InChI
- InChI=1S/C18H17NO3/c1-19(2)17(20)12-13-18(21)22-16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-13H,1-2H3/b13-12+
- InChI Key
- HNISNVWQVVQBKY-OUKQBFOZSA-N
- Formula
- C18H17NO3
- SMILES
-
CN(C)C(=O)C=CC(=O)Oc1ccccc1-c1
ccccc1 - Molecular Weight1
- 295.33
- 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° | 144.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -125.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.78 | kJ/mol | Joback Calculated Property |
| log10WS | -4.26 | Crippen Calculated Property | |
| logPoct/wat | 2.903 | Crippen Calculated Property | |
| McVol | 231.650 | ml/mol | McGowan Calculated Property |
| Pc | 2183.60 | kPa | Joback Calculated Property |
| Inp | 2594.00 | NIST | |
| Tboil | 816.34 | K | Joback Calculated Property |
| Tc | 1052.04 | K | Joback Calculated Property |
| Tfus | 507.46 | K | Joback Calculated Property |
| Vc | 0.856 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [655.74; 723.99] | J/mol×K | [816.34; 1052.04] | 
|
| Cp,gas | 655.74 | J/mol×K | 816.34 | Joback Calculated Property |
| Cp,gas | 669.76 | J/mol×K | 855.62 | Joback Calculated Property |
| Cp,gas | 682.60 | J/mol×K | 894.91 | Joback Calculated Property |
| Cp,gas | 694.36 | J/mol×K | 934.19 | Joback Calculated Property |
| Cp,gas | 705.11 | J/mol×K | 973.47 | Joback Calculated Property |
| Cp,gas | 714.96 | J/mol×K | 1012.75 | Joback Calculated Property |
| Cp,gas | 723.99 | J/mol×K | 1052.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, monoamide, N,N-dimethyl-, 2-biphenyl ester.
Sources
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