- InChI
- InChI=1S/C9H11F3O2/c1-3-5-7(6-4-2)14-8(13)9(10,11)12/h3-4,7H,1-2,5-6H2
- InChI Key
- VOIOLVJUKBWWLY-UHFFFAOYSA-N
- Formula
- C9H11F3O2
- SMILES
- C=CCC(CC=C)OC(=O)C(F)(F)F
- Molecular Weight1
- 208.18
- 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° | -617.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -825.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.31 | kJ/mol | Joback Calculated Property |
| log10WS | -2.93 | Crippen Calculated Property | |
| logPoct/wat | 2.613 | Crippen Calculated Property | |
| McVol | 141.820 | ml/mol | McGowan Calculated Property |
| Pc | 2356.49 | kPa | Joback Calculated Property |
| Inp | [846.30; 846.30] |
|
|
| Inp | 846.30 | NIST | |
| Inp | 846.30 | NIST | |
| Tboil | 469.11 | K | Joback Calculated Property |
| Tc | 637.79 | K | Joback Calculated Property |
| Tfus | 249.02 | K | Joback Calculated Property |
| Vc | 0.562 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [316.04; 378.01] | J/mol×K | [469.11; 637.79] |
|
| Cp,gas | 316.04 | J/mol×K | 469.11 | Joback Calculated Property |
| Cp,gas | 327.78 | J/mol×K | 497.22 | Joback Calculated Property |
| Cp,gas | 338.93 | J/mol×K | 525.34 | Joback Calculated Property |
| Cp,gas | 349.51 | J/mol×K | 553.45 | Joback Calculated Property |
| Cp,gas | 359.53 | J/mol×K | 581.56 | Joback Calculated Property |
| Cp,gas | 369.03 | J/mol×K | 609.68 | Joback Calculated Property |
| Cp,gas | 378.01 | J/mol×K | 637.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,6-Heptadien-4-ol, trifluoroacetate.
Sources
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