- InChI
- InChI=1S/C8H9F5O2/c1-3-4-5(2)15-6(14)7(9,10)8(11,12)13/h3,5H,1,4H2,2H3
- InChI Key
- MZTFZLPGJBHCQE-UHFFFAOYSA-N
- Formula
- C8H9F5O2
- SMILES
- C=CCC(C)OC(=O)C(F)(F)C(F)(F)F
- Molecular Weight1
- 232.15
- 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° | -1100.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1331.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.82 | kJ/mol | Joback Calculated Property |
| log10WS | -2.98 | Crippen Calculated Property | |
| logPoct/wat | 2.692 | Crippen Calculated Property | |
| McVol | 135.570 | ml/mol | McGowan Calculated Property |
| Pc | 2318.07 | kPa | Joback Calculated Property |
| Inp | 752.70 | NIST | |
| Tboil | 444.86 | K | Joback Calculated Property |
| Tc | 604.87 | K | Joback Calculated Property |
| Tfus | 243.11 | K | Joback Calculated Property |
| Vc | 0.550 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [309.68; 369.40] | J/mol×K | [444.86; 604.87] | 
|
| Cp,gas | 309.68 | J/mol×K | 444.86 | Joback Calculated Property |
| Cp,gas | 321.11 | J/mol×K | 471.53 | Joback Calculated Property |
| Cp,gas | 331.92 | J/mol×K | 498.20 | Joback Calculated Property |
| Cp,gas | 342.13 | J/mol×K | 524.86 | Joback Calculated Property |
| Cp,gas | 351.76 | J/mol×K | 551.53 | Joback Calculated Property |
| Cp,gas | 360.84 | J/mol×K | 578.20 | Joback Calculated Property |
| Cp,gas | 369.40 | J/mol×K | 604.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Penten-2-ol, pentafluoropropionate.
Sources
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