- InChI
- InChI=1S/C20H27NO6/c1-3-4-5-6-7-8-11-16(2)26-19(22)14-15-20(23)27-18-13-10-9-12-17(18)21(24)25/h9-10,12-16H,3-8,11H2,1-2H3/b15-14+
- InChI Key
- DENDZTVAWQNIMC-CCEZHUSRSA-N
- Formula
- C20H27NO6
- SMILES
-
CCCCCCCCC(C)OC(=O)C=CC(=O)Oc1c
cccc1[N+](=O)[O-] - Molecular Weight1
- 377.43
- 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° | -134.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -619.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.52 | kJ/mol | Joback Calculated Property |
| log10WS | -6.29 | Crippen Calculated Property | |
| logPoct/wat | 4.739 | Crippen Calculated Property | |
| McVol | 296.900 | ml/mol | McGowan Calculated Property |
| Pc | 1415.44 | kPa | Joback Calculated Property |
| Inp | [2747.00; 2747.00] |
|
|
| Inp | 2747.00 | NIST | |
| Inp | 2747.00 | NIST | |
| Tboil | 996.80 | K | Joback Calculated Property |
| Tc | 1226.73 | K | Joback Calculated Property |
| Tfus | 621.95 | K | Joback Calculated Property |
| Vc | 1.151 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [959.72; 1017.20] | J/mol×K | [996.80; 1226.73] |
|
| Cp,gas | 959.72 | J/mol×K | 996.80 | Joback Calculated Property |
| Cp,gas | 972.18 | J/mol×K | 1035.12 | Joback Calculated Property |
| Cp,gas | 983.41 | J/mol×K | 1073.44 | Joback Calculated Property |
| Cp,gas | 993.47 | J/mol×K | 1111.76 | Joback Calculated Property |
| Cp,gas | 1002.42 | J/mol×K | 1150.09 | Joback Calculated Property |
| Cp,gas | 1010.31 | J/mol×K | 1188.41 | Joback Calculated Property |
| Cp,gas | 1017.20 | J/mol×K | 1226.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-nitrophenyl dec-2-yl ester.
Sources
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