- InChI
- InChI=1S/C8H11F3O2/c1-2-3-4-5-6-13-7(12)8(9,10)11/h2-3H,4-6H2,1H3/b3-2+
- InChI Key
- VGZQUSPVQQXMSU-NSCUHMNNSA-N
- Formula
- C8H11F3O2
- SMILES
- CC=CCCCOC(=O)C(F)(F)F
- Molecular Weight1
- 196.17
- 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° | -718.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -933.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.77 | kJ/mol | Joback Calculated Property |
| log10WS | -2.55 | Crippen Calculated Property | |
| logPoct/wat | 2.448 | Crippen Calculated Property | |
| McVol | 132.030 | ml/mol | McGowan Calculated Property |
| Pc | 2490.03 | kPa | Joback Calculated Property |
| Inp | [863.50; 863.50] |
|
|
| Inp | 863.50 | NIST | |
| Inp | 863.50 | NIST | |
| Tboil | 457.47 | K | Joback Calculated Property |
| Tc | 624.90 | K | Joback Calculated Property |
| Tfus | 251.19 | K | Joback Calculated Property |
| Vc | 0.530 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [290.91; 350.75] | J/mol×K | [457.47; 624.90] |
|
| Cp,gas | 290.91 | J/mol×K | 457.47 | Joback Calculated Property |
| Cp,gas | 302.21 | J/mol×K | 485.38 | Joback Calculated Property |
| Cp,gas | 312.96 | J/mol×K | 513.28 | Joback Calculated Property |
| Cp,gas | 323.16 | J/mol×K | 541.19 | Joback Calculated Property |
| Cp,gas | 332.85 | J/mol×K | 569.09 | Joback Calculated Property |
| Cp,gas | 342.04 | J/mol×K | 597.00 | Joback Calculated Property |
| Cp,gas | 350.75 | J/mol×K | 624.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Hexen-1-ol, trifluoroacetate.
Sources
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