- InChI
- InChI=1S/C8H7F7O4/c1-5(2,3(16)17)19-4(18)6(9,10)7(11,12)8(13,14)15/h1-2H3,(H,16,17)
- InChI Key
- OJGONUYELKIPPD-UHFFFAOYSA-N
- Formula
- C8H7F7O4
- SMILES
-
CC(C)(OC(=O)C(F)(F)C(F)(F)C(F)
(F)F)C(=O)O - Molecular Weight1
- 300.13
- 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 | 0.7001 | Relay (1.0) Calculated Property | |
| ΔfG° | -1835.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2291.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.226 | Crippen Calculated Property | |
| McVol | 150.850 | ml/mol | McGowan Calculated Property |
| Pc | 2441.06 | kPa | Joback Calculated Property |
| Inp | [1046.00; 1046.00] |
|
|
| Inp | 1046.00 | NIST | |
| Inp | 1046.00 | NIST | |
| Tboil | 438.93 | K | Relay (1.0) Calculated Property |
| Tc | 594.56 | K | Relay (1.0) Calculated Property |
| Tfus | 297.23 | K | Relay (1.0) Calculated Property |
| Vc | 0.581 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [420.90; 464.53] | J/mol×K | [586.75; 749.02] |
|
| Cp,gas | 420.90 | J/mol×K | 586.75 | Joback Calculated Property |
| Cp,gas | 429.70 | J/mol×K | 613.80 | Joback Calculated Property |
| Cp,gas | 437.83 | J/mol×K | 640.84 | Joback Calculated Property |
| Cp,gas | 445.34 | J/mol×K | 667.89 | Joback Calculated Property |
| Cp,gas | 452.26 | J/mol×K | 694.93 | Joback Calculated Property |
| Cp,gas | 458.65 | J/mol×K | 721.98 | Joback Calculated Property |
| Cp,gas | 464.53 | J/mol×K | 749.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»-Hydroxyisobutyric acid, heptafluorobutyrate.
Sources
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