- InChI
- InChI=1S/C9H15ClF2O2/c1-6(2)4-5-7(3)14-8(13)9(10,11)12/h6-7H,4-5H2,1-3H3
- InChI Key
- RHZQAYIXTJYXHY-UHFFFAOYSA-N
- Formula
- C9H15ClF2O2
- SMILES
- CC(C)CCC(C)OC(=O)C(F)(F)Cl
- Molecular Weight1
- 228.66
- 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° | -612.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -901.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.46 | kJ/mol | Joback Calculated Property |
| log10WS | -3.28 | Crippen Calculated Property | |
| logPoct/wat | 3.186 | Crippen Calculated Property | |
| McVol | 160.890 | ml/mol | McGowan Calculated Property |
| Pc | 2208.29 | kPa | Joback Calculated Property |
| Inp | [1018.00; 1018.00] |
|
|
| Inp | 1018.00 | NIST | |
| Inp | 1018.00 | NIST | |
| Tboil | 513.47 | K | Joback Calculated Property |
| Tc | 692.98 | K | Joback Calculated Property |
| Tfus | 266.87 | K | Joback Calculated Property |
| Vc | 0.625 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [372.29; 441.66] | J/mol×K | [513.47; 692.98] |
|
| Cp,gas | 372.29 | J/mol×K | 513.47 | Joback Calculated Property |
| Cp,gas | 385.42 | J/mol×K | 543.39 | Joback Calculated Property |
| Cp,gas | 397.90 | J/mol×K | 573.31 | Joback Calculated Property |
| Cp,gas | 409.75 | J/mol×K | 603.22 | Joback Calculated Property |
| Cp,gas | 420.97 | J/mol×K | 633.14 | Joback Calculated Property |
| Cp,gas | 431.60 | J/mol×K | 663.06 | Joback Calculated Property |
| Cp,gas | 441.66 | J/mol×K | 692.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Methyl-2-hexanol, chlorodifluoroacetate.
Sources
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