- InChI
- InChI=1S/C7H9F3O2/c1-3-4-5(2)12-6(11)7(8,9)10/h3,5H,1,4H2,2H3
- InChI Key
- AYIRUBDOOSWFMC-UHFFFAOYSA-N
- Formula
- C7H9F3O2
- SMILES
- C=CCC(C)OC(=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° | -722.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -909.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.53 | kJ/mol | Joback Calculated Property |
| log10WS | -2.24 | Crippen Calculated Property | |
| logPoct/wat | 2.057 | Crippen Calculated Property | |
| McVol | 117.940 | ml/mol | McGowan Calculated Property |
| Pc | 2741.15 | kPa | Joback Calculated Property |
| Inp | [742.60; 742.60] |
|
|
| Inp | 742.60 | NIST | |
| Inp | 742.60 | NIST | |
| Tboil | 426.67 | K | Joback Calculated Property |
| Tc | 594.13 | K | Joback Calculated Property |
| Tfus | 228.24 | K | Joback Calculated Property |
| Vc | 0.469 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [250.21; 305.51] | J/mol×K | [426.67; 594.13] |
|
| Cp,gas | 250.21 | J/mol×K | 426.67 | Joback Calculated Property |
| Cp,gas | 260.62 | J/mol×K | 454.58 | Joback Calculated Property |
| Cp,gas | 270.53 | J/mol×K | 482.49 | Joback Calculated Property |
| Cp,gas | 279.96 | J/mol×K | 510.40 | Joback Calculated Property |
| Cp,gas | 288.92 | J/mol×K | 538.31 | Joback Calculated Property |
| Cp,gas | 297.44 | J/mol×K | 566.22 | Joback Calculated Property |
| Cp,gas | 305.51 | J/mol×K | 594.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Penten-2-ol, trifluoroacetate.
Sources
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