- InChI
- InChI=1S/C7H9F3O2/c1-5(2)3-4-12-6(11)7(8,9)10/h1,3-4H2,2H3
- InChI Key
- IHPYFPWQBOSHJK-UHFFFAOYSA-N
- Formula
- C7H9F3O2
- SMILES
- C=C(C)CCOC(=O)C(F)(F)F
- Molecular Weight1
- 182.14
- 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° | -728.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -914.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.99 | kJ/mol | Joback Calculated Property |
| log10WS | -2.13 | Crippen Calculated Property | |
| logPoct/wat | 2.058 | Crippen Calculated Property | |
| McVol | 117.940 | ml/mol | McGowan Calculated Property |
| Pc | 2732.56 | kPa | Joback Calculated Property |
| Inp | 914.60 | NIST | |
| Tboil | 426.99 | K | Joback Calculated Property |
| Tc | 593.90 | K | Joback Calculated Property |
| Tfus | 229.28 | K | Joback Calculated Property |
| Vc | 0.476 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [250.10; 304.67] | J/mol×K | [426.99; 593.90] | 
|
| Cp,gas | 250.10 | J/mol×K | 426.99 | Joback Calculated Property |
| Cp,gas | 260.37 | J/mol×K | 454.81 | Joback Calculated Property |
| Cp,gas | 270.14 | J/mol×K | 482.63 | Joback Calculated Property |
| Cp,gas | 279.45 | J/mol×K | 510.44 | Joback Calculated Property |
| Cp,gas | 288.29 | J/mol×K | 538.26 | Joback Calculated Property |
| Cp,gas | 296.69 | J/mol×K | 566.08 | Joback Calculated Property |
| Cp,gas | 304.67 | J/mol×K | 593.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-3-buten-1-ol, trifluoroacetate.
Sources
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