- InChI
- InChI=1S/C11H9F7O5/c1-5(19)4-6(2-3-7(20)21)23-8(22)9(12,13)10(14,15)11(16,17)18/h4H,2-3H2,1H3,(H,20,21)/b6-4-
- InChI Key
- WOLHNCOTKBYCDQ-XQRVVYSFSA-N
- Formula
- C11H9F7O5
- SMILES
-
CC(=O)C=C(CCC(=O)O)OC(=O)C(F)(
F)C(F)(F)C(F)(F)F - Molecular Weight1
- 354.18
- 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 | 0.8534 | Relay (1.0) Calculated Property | |
| ΔfG° | -1870.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2410.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.700 | Crippen Calculated Property | |
| McVol | 190.390 | ml/mol | McGowan Calculated Property |
| Pc | 2045.61 | kPa | Joback Calculated Property |
| Inp | 1324.00 | NIST | |
| Tboil | 523.16 | K | Relay (1.0) Calculated Property |
| Tc | 670.59 | K | Relay (1.0) Calculated Property |
| Tfus | 327.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.682 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [552.16; 594.37] | J/mol×K | [716.53; 888.85] | 
|
| Cp,gas | 552.16 | J/mol×K | 716.53 | Joback Calculated Property |
| Cp,gas | 560.54 | J/mol×K | 745.25 | Joback Calculated Property |
| Cp,gas | 568.32 | J/mol×K | 773.97 | Joback Calculated Property |
| Cp,gas | 575.54 | J/mol×K | 802.69 | Joback Calculated Property |
| Cp,gas | 582.26 | J/mol×K | 831.41 | Joback Calculated Property |
| Cp,gas | 588.52 | J/mol×K | 860.13 | Joback Calculated Property |
| Cp,gas | 594.37 | J/mol×K | 888.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Hydroxy-6-oxohept-4-enoic acid, heptafluorobutyrate.
Sources
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