- InChI
- InChI=1S/C15H11F8NO6/c16-12(17)14(20,21)15(22,23)13(18,19)7-29-10(25)4-5-11(26)30-9-3-1-2-8(6-9)24(27)28/h1-3,6,12H,4-5,7H2
- InChI Key
- BOFQALYLHLDHMZ-UHFFFAOYSA-N
- Formula
- C15H11F8NO6
- SMILES
-
O=C(CCC(=O)Oc1cccc([N+](=O)[O-
])c1)OCC(F)(F)C(F)(F)C(F)(F)C( F)F - Molecular Weight1
- 453.24
- 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° | -1806.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2228.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.01 | kJ/mol | Joback Calculated Property |
| log10WS | -5.48 | Crippen Calculated Property | |
| logPoct/wat | 3.995 | Crippen Calculated Property | |
| McVol | 244.910 | ml/mol | McGowan Calculated Property |
| Pc | 1558.58 | kPa | Joback Calculated Property |
| Inp | 2190.00 | NIST | |
| Tboil | 862.71 | K | Joback Calculated Property |
| Tc | 1065.80 | K | Joback Calculated Property |
| Tfus | 582.66 | K | Joback Calculated Property |
| Vc | 1.002 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [761.83; 806.17] | J/mol×K | [862.71; 1065.80] | 
|
| Cp,gas | 761.83 | J/mol×K | 862.71 | Joback Calculated Property |
| Cp,gas | 771.06 | J/mol×K | 896.56 | Joback Calculated Property |
| Cp,gas | 779.45 | J/mol×K | 930.41 | Joback Calculated Property |
| Cp,gas | 787.09 | J/mol×K | 964.26 | Joback Calculated Property |
| Cp,gas | 794.03 | J/mol×K | 998.11 | Joback Calculated Property |
| Cp,gas | 800.37 | J/mol×K | 1031.96 | Joback Calculated Property |
| Cp,gas | 806.17 | J/mol×K | 1065.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-nitrophenyl ester.
Sources
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