- InChI
- InChI=1S/C8H7F7O2/c1-2-3-4-17-5(16)6(9,10)7(11,12)8(13,14)15/h2-3H,4H2,1H3/b3-2+
- InChI Key
- IMXAMWCXPQCKBC-NSCUHMNNSA-N
- Formula
- C8H7F7O2
- SMILES
-
CC=CCOC(=O)C(F)(F)C(F)(F)C(F)(
F)F - Molecular Weight1
- 268.13
- 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 | 0.4349 | Relay (1.0) Calculated Property | |
| ΔfG° | -1492.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1844.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.939 | Crippen Calculated Property | |
| McVol | 139.110 | ml/mol | McGowan Calculated Property |
| Pc | 2171.40 | kPa | Joback Calculated Property |
| Inp | 770.70 | NIST | |
| Tboil | 389.90 | K | Relay (1.0) Calculated Property |
| Tc | 518.23 | K | Relay (1.0) Calculated Property |
| Tfus | 206.22 | K | Relay (1.0) Calculated Property |
| Vc | 0.496 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [329.08; 387.15] | J/mol×K | [448.09; 602.83] | 
|
| Cp,gas | 329.08 | J/mol×K | 448.09 | Joback Calculated Property |
| Cp,gas | 340.43 | J/mol×K | 473.88 | Joback Calculated Property |
| Cp,gas | 351.07 | J/mol×K | 499.67 | Joback Calculated Property |
| Cp,gas | 361.03 | J/mol×K | 525.46 | Joback Calculated Property |
| Cp,gas | 370.34 | J/mol×K | 551.25 | Joback Calculated Property |
| Cp,gas | 379.03 | J/mol×K | 577.04 | Joback Calculated Property |
| Cp,gas | 387.15 | J/mol×K | 602.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Crotyl alcohol, heptafluorobutyrate.
Sources
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