- InChI
- InChI=1S/C8H9F5O2/c1-5(2)3-4-15-6(14)7(9,10)8(11,12)13/h1,3-4H2,2H3
- InChI Key
- OJKWKHSDHJRWGW-UHFFFAOYSA-N
- Formula
- C8H9F5O2
- SMILES
- C=C(C)CCOC(=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° | -1106.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1335.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.29 | kJ/mol | Joback Calculated Property |
| log10WS | -2.86 | Crippen Calculated Property | |
| logPoct/wat | 2.693 | Crippen Calculated Property | |
| McVol | 135.570 | ml/mol | McGowan Calculated Property |
| Pc | 2311.39 | kPa | Joback Calculated Property |
| Inp | [936.90; 936.90] |
|
|
| Inp | 936.90 | NIST | |
| Inp | 936.90 | NIST | |
| Tboil | 445.18 | K | Joback Calculated Property |
| Tc | 604.69 | K | Joback Calculated Property |
| Tfus | 244.15 | K | Joback Calculated Property |
| Vc | 0.557 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [309.52; 368.54] | J/mol×K | [445.18; 604.69] |
|
| Cp,gas | 309.52 | J/mol×K | 445.18 | Joback Calculated Property |
| Cp,gas | 320.81 | J/mol×K | 471.77 | Joback Calculated Property |
| Cp,gas | 331.49 | J/mol×K | 498.35 | Joback Calculated Property |
| Cp,gas | 341.58 | J/mol×K | 524.94 | Joback Calculated Property |
| Cp,gas | 351.10 | J/mol×K | 551.52 | Joback Calculated Property |
| Cp,gas | 360.08 | J/mol×K | 578.11 | Joback Calculated Property |
| Cp,gas | 368.54 | J/mol×K | 604.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-3-buten-1-ol, pentafluoropropionate.
Sources
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