- InChI
- InChI=1S/C8H9ClF2O2/c1-3-5-6(4-2)13-7(12)8(9,10)11/h3-4,6H,1-2,5H2
- InChI Key
- MNDIMJRVUZPCKP-UHFFFAOYSA-N
- Formula
- C8H9ClF2O2
- SMILES
- C=CCC(C=C)OC(=O)C(F)(F)Cl
- Molecular Weight1
- 210.61
- 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° | -442.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -624.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.28 | kJ/mol | Joback Calculated Property |
| log10WS | -2.82 | Crippen Calculated Property | |
| logPoct/wat | 2.492 | Crippen Calculated Property | |
| McVol | 138.200 | ml/mol | McGowan Calculated Property |
| Pc | 2613.74 | kPa | Joback Calculated Property |
| Inp | 920.00 | NIST | |
| Tboil | 484.39 | K | Joback Calculated Property |
| Tc | 669.02 | K | Joback Calculated Property |
| Tfus | 267.08 | K | Joback Calculated Property |
| Vc | 0.537 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [292.63; 348.24] | J/mol×K | [484.39; 669.02] | 
|
| Cp,gas | 292.63 | J/mol×K | 484.39 | Joback Calculated Property |
| Cp,gas | 303.37 | J/mol×K | 515.16 | Joback Calculated Property |
| Cp,gas | 313.49 | J/mol×K | 545.93 | Joback Calculated Property |
| Cp,gas | 323.01 | J/mol×K | 576.71 | Joback Calculated Property |
| Cp,gas | 331.96 | J/mol×K | 607.48 | Joback Calculated Property |
| Cp,gas | 340.36 | J/mol×K | 638.25 | Joback Calculated Property |
| Cp,gas | 348.24 | J/mol×K | 669.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,5-Hexadien-3-ol, chlorodifluoroacetate.
Sources
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