- InChI
- InChI=1S/C12H16Cl2O/c1-12(2,3)8-15-7-9-6-10(13)4-5-11(9)14/h4-6H,7-8H2,1-3H3
- InChI Key
- DJHZBBUCEQQVIN-UHFFFAOYSA-N
- Formula
- C12H16Cl2O
- SMILES
- CC(C)(C)COCc1cc(Cl)ccc1Cl
- Molecular Weight1
- 247.16
- 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° | 17.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -249.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.79 | kJ/mol | Joback Calculated Property |
| log10WS | -4.66 | Crippen Calculated Property | |
| logPoct/wat | 4.556 | Crippen Calculated Property | |
| McVol | 186.530 | ml/mol | McGowan Calculated Property |
| Pc | 2181.56 | kPa | Joback Calculated Property |
| Inp | [1571.00; 1571.00] |
|
|
| Inp | 1571.00 | NIST | |
| Inp | 1571.00 | NIST | |
| Tboil | 604.65 | K | Joback Calculated Property |
| Tc | 825.49 | K | Joback Calculated Property |
| Tfus | 360.95 | K | Joback Calculated Property |
| Vc | 0.705 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [433.51; 509.62] | J/mol×K | [604.65; 825.49] |
|
| Cp,gas | 433.51 | J/mol×K | 604.65 | Joback Calculated Property |
| Cp,gas | 448.45 | J/mol×K | 641.46 | Joback Calculated Property |
| Cp,gas | 462.43 | J/mol×K | 678.26 | Joback Calculated Property |
| Cp,gas | 475.50 | J/mol×K | 715.07 | Joback Calculated Property |
| Cp,gas | 487.69 | J/mol×K | 751.88 | Joback Calculated Property |
| Cp,gas | 499.05 | J/mol×K | 788.68 | Joback Calculated Property |
| Cp,gas | 509.62 | J/mol×K | 825.49 | Joback Calculated Property |
| η | [0.0001378; 0.0014004] | Pa×s | [360.95; 604.65] |
|
| η | 0.0014004 | Pa×s | 360.95 | Joback Calculated Property |
| η | 0.0007826 | Pa×s | 401.57 | Joback Calculated Property |
| η | 0.0004867 | Pa×s | 442.18 | Joback Calculated Property |
| η | 0.0003279 | Pa×s | 482.80 | Joback Calculated Property |
| η | 0.0002348 | Pa×s | 523.42 | Joback Calculated Property |
| η | 0.0001765 | Pa×s | 564.03 | Joback Calculated Property |
| η | 0.0001378 | Pa×s | 604.65 | Joback Calculated Property |
Similar Compounds
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Sources
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