- InChI
- InChI=1S/C15H9F8NO6/c16-12(17)14(20,21)15(22,23)13(18,19)7-29-10(25)5-6-11(26)30-9-3-1-8(2-4-9)24(27)28/h1-6,12H,7H2/b6-5+
- InChI Key
- PZDUQUDRWYMOKB-AATRIKPKSA-N
- Formula
- C15H9F8NO6
- SMILES
-
O=C(C=CC(=O)Oc1ccc([N+](=O)[O-
])cc1)OCC(F)(F)C(F)(F)C(F)(F)C (F)F - Molecular Weight1
- 451.22
- 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 | 0.9113 | Relay (... Calculated Property | |
| ΔfG° | -1726.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2217.16 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 44.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.30 | kJ/mol | Relay (... Calculated Property |
| IE | 10.13 | eV | Relay (... Calculated Property |
| log10WS | -6.37 | Relay (... Calculated Property | |
| logPoct/wat | 3.771 | Crippen Calculated Property | |
| McVol | 240.610 | ml/mol | McGowan Calculated Property |
| Pc | 1624.60 | kPa | Joback Calculated Property |
| Inp | 2183.00 | NIST | |
| Tboil | 608.11 | K | Relay (... Calculated Property |
| Tc | 825.18 | K | Relay (... Calculated Property |
| Tfus | 355.08 | K | Relay (... Calculated Property |
| Vc | 0.846 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [734.08; 776.83] | J/mol×K | [866.87; 1073.87] | 
|
| Cp,gas | 734.08 | J/mol×K | 866.87 | Joback Calculated Property |
| Cp,gas | 742.78 | J/mol×K | 901.37 | Joback Calculated Property |
| Cp,gas | 750.73 | J/mol×K | 935.87 | Joback Calculated Property |
| Cp,gas | 758.02 | J/mol×K | 970.37 | Joback Calculated Property |
| Cp,gas | 764.74 | J/mol×K | 1004.87 | Joback Calculated Property |
| Cp,gas | 770.98 | J/mol×K | 1039.37 | Joback Calculated Property |
| Cp,gas | 776.83 | J/mol×K | 1073.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 4-nitrophenyl 2,2,3,3,4,4,5,5-octafluoropentyl ester.
Sources
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