- InChI
- InChI=1S/C9H13Cl3O2/c10-9(11,12)6-14-8(13)7-4-2-1-3-5-7/h7H,1-6H2
- InChI Key
- LDNCHQISWJTDHK-UHFFFAOYSA-N
- Formula
- C9H13Cl3O2
- SMILES
- O=C(OCC(Cl)(Cl)Cl)C1CCCCC1
- Molecular Weight1
- 259.56
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | -217.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -475.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.07 | kJ/mol | Joback Calculated Property |
| log10WS | -3.67 | Crippen Calculated Property | |
| logPoct/wat | 3.480 | Crippen Calculated Property | |
| McVol | 170.970 | ml/mol | McGowan Calculated Property |
| Pc | 2704.22 | kPa | Joback Calculated Property |
| Inp | [1563.00; 1563.00] |
|
|
| Inp | 1563.00 | NIST | |
| Inp | 1563.00 | NIST | |
| Tboil | 610.22 | K | Joback Calculated Property |
| Tc | 845.54 | K | Joback Calculated Property |
| Tfus | 362.91 | K | Joback Calculated Property |
| Vc | 0.632 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [398.15; 472.24] | J/mol×K | [610.22; 845.54] |
|
| Cp,gas | 398.15 | J/mol×K | 610.22 | Joback Calculated Property |
| Cp,gas | 413.22 | J/mol×K | 649.44 | Joback Calculated Property |
| Cp,gas | 427.14 | J/mol×K | 688.66 | Joback Calculated Property |
| Cp,gas | 439.95 | J/mol×K | 727.88 | Joback Calculated Property |
| Cp,gas | 451.70 | J/mol×K | 767.10 | Joback Calculated Property |
| Cp,gas | 462.45 | J/mol×K | 806.32 | Joback Calculated Property |
| Cp,gas | 472.24 | J/mol×K | 845.54 | Joback Calculated Property |
| η | [0.0002013; 0.0029522] | Pa×s | [362.91; 610.22] |
|
| η | 0.0029522 | Pa×s | 362.91 | Joback Calculated Property |
| η | 0.0015018 | Pa×s | 404.13 | Joback Calculated Property |
| η | 0.0008658 | Pa×s | 445.35 | Joback Calculated Property |
| η | 0.0005479 | Pa×s | 486.57 | Joback Calculated Property |
| η | 0.0003725 | Pa×s | 527.78 | Joback Calculated Property |
| η | 0.0002678 | Pa×s | 569.00 | Joback Calculated Property |
| η | 0.0002013 | Pa×s | 610.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanecarboxylic acid, 2,2,2-trichloroethyl ester.
Sources
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