- InChI
- InChI=1S/C13H11F4NO6/c14-12(15)13(16,17)7-23-10(19)4-5-11(20)24-9-3-1-2-8(6-9)18(21)22/h1-3,6,12H,4-5,7H2
- InChI Key
- USGNPGKRSUIIRH-UHFFFAOYSA-N
- Formula
- C13H11F4NO6
- SMILES
-
O=C(CCC(=O)Oc1cccc([N+](=O)[O-
])c1)OCC(F)(F)C(F)F - Molecular Weight1
- 353.22
- 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° | -1049.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1385.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.42 | kJ/mol | Joback Calculated Property |
| log10WS | -4.02 | Crippen Calculated Property | |
| logPoct/wat | 2.724 | Crippen Calculated Property | |
| McVol | 209.650 | ml/mol | McGowan Calculated Property |
| Pc | 2068.00 | kPa | Joback Calculated Property |
| Inp | 2121.00 | NIST | |
| Tboil | 826.33 | K | Joback Calculated Property |
| Tc | 1037.86 | K | Joback Calculated Property |
| Tfus | 552.92 | K | Joback Calculated Property |
| Vc | 0.841 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [619.89; 666.07] | J/mol×K | [826.33; 1037.86] | 
|
| Cp,gas | 619.89 | J/mol×K | 826.33 | Joback Calculated Property |
| Cp,gas | 629.78 | J/mol×K | 861.59 | Joback Calculated Property |
| Cp,gas | 638.74 | J/mol×K | 896.84 | Joback Calculated Property |
| Cp,gas | 646.82 | J/mol×K | 932.10 | Joback Calculated Property |
| Cp,gas | 654.04 | J/mol×K | 967.35 | Joback Calculated Property |
| Cp,gas | 660.45 | J/mol×K | 1002.61 | Joback Calculated Property |
| Cp,gas | 666.07 | J/mol×K | 1037.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2,2,3,3-tetrafluoropropyl 3-nitrophenyl ester.
Sources
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