- InChI
- InChI=1S/C16H19NO6/c1-2-3-4-5-11-22-15(18)9-10-16(19)23-14-8-6-7-13(12-14)17(20)21/h6-10,12H,2-5,11H2,1H3/b10-9+
- InChI Key
- UIOWUROIBOULOM-MDZDMXLPSA-N
- Formula
- C16H19NO6
- SMILES
-
CCCCCCOC(=O)C=CC(=O)Oc1cccc([N
+](=O)[O-])c1 - Molecular Weight1
- 321.33
- 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° | -165.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -531.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.01 | kJ/mol | Joback Calculated Property |
| log10WS | -4.50 | Crippen Calculated Property | |
| logPoct/wat | 3.180 | Crippen Calculated Property | |
| McVol | 240.540 | ml/mol | McGowan Calculated Property |
| Pc | 1920.30 | kPa | Joback Calculated Property |
| Inp | 2554.00 | NIST | |
| Tboil | 905.72 | K | Joback Calculated Property |
| Tc | 1133.55 | K | Joback Calculated Property |
| Tfus | 591.87 | K | Joback Calculated Property |
| Vc | 0.933 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [726.77; 781.66] | J/mol×K | [905.72; 1133.55] | 
|
| Cp,gas | 726.77 | J/mol×K | 905.72 | Joback Calculated Property |
| Cp,gas | 738.50 | J/mol×K | 943.69 | Joback Calculated Property |
| Cp,gas | 749.14 | J/mol×K | 981.66 | Joback Calculated Property |
| Cp,gas | 758.74 | J/mol×K | 1019.64 | Joback Calculated Property |
| Cp,gas | 767.34 | J/mol×K | 1057.61 | Joback Calculated Property |
| Cp,gas | 774.96 | J/mol×K | 1095.58 | Joback Calculated Property |
| Cp,gas | 781.66 | J/mol×K | 1133.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, hexyl 3-nitrophenyl ester.
Sources
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