- InChI
- InChI=1S/C9H15ClF2O2/c1-6(5-8(2,3)4)14-7(13)9(10,11)12/h6H,5H2,1-4H3
- InChI Key
- IQJCQRNANGJGAK-UHFFFAOYSA-N
- Formula
- C9H15ClF2O2
- SMILES
- CC(CC(C)(C)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° | -607.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -904.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.56 | 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 | 2231.30 | kPa | Joback Calculated Property |
| Inp | 967.00 | NIST | |
| Tboil | 510.68 | K | Joback Calculated Property |
| Tc | 696.92 | K | Joback Calculated Property |
| Tfus | 284.29 | K | Joback Calculated Property |
| Vc | 0.621 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [375.15; 446.34] | J/mol×K | [510.68; 696.92] | 
|
| Cp,gas | 375.15 | J/mol×K | 510.68 | Joback Calculated Property |
| Cp,gas | 388.91 | J/mol×K | 541.72 | Joback Calculated Property |
| Cp,gas | 401.87 | J/mol×K | 572.76 | Joback Calculated Property |
| Cp,gas | 414.06 | J/mol×K | 603.80 | Joback Calculated Property |
| Cp,gas | 425.51 | J/mol×K | 634.84 | Joback Calculated Property |
| Cp,gas | 436.26 | J/mol×K | 665.88 | Joback Calculated Property |
| Cp,gas | 446.34 | J/mol×K | 696.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4,4-Dimethyl-2-pentanol, chlorodifluoroacetate.
Sources
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