- InChI
- InChI=1S/C12H16Cl2O/c1-3-9(2)7-15-8-10-4-5-11(13)6-12(10)14/h4-6,9H,3,7-8H2,1-2H3
- InChI Key
- VOYMPYOEVGLERT-UHFFFAOYSA-N
- Formula
- C12H16Cl2O
- SMILES
- CCC(C)COCc1ccc(Cl)cc1Cl
- Molecular Weight1
- 247.16
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5498 | Relay (1.0) Calculated Property | |
| ΔfG° | 12.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -256.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.556 | Crippen Calculated Property | |
| McVol | 186.530 | ml/mol | McGowan Calculated Property |
| Pc | 2159.31 | kPa | Joback Calculated Property |
| Inp | [1660.00; 1660.00] |
|
|
| Inp | 1660.00 | NIST | |
| Inp | 1660.00 | NIST | |
| Tboil | 555.51 | K | Relay (1.0) Calculated Property |
| Tc | 771.31 | K | Relay (1.0) Calculated Property |
| Tfus | 248.76 | K | Relay (1.0) Calculated Property |
| Vc | 0.660 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [430.61; 506.02] | J/mol×K | [607.44; 820.11] |
|
| Cp,gas | 430.61 | J/mol×K | 607.44 | Joback Calculated Property |
| Cp,gas | 445.15 | J/mol×K | 642.88 | Joback Calculated Property |
| Cp,gas | 458.88 | J/mol×K | 678.33 | Joback Calculated Property |
| Cp,gas | 471.81 | J/mol×K | 713.77 | Joback Calculated Property |
| Cp,gas | 483.97 | J/mol×K | 749.22 | Joback Calculated Property |
| Cp,gas | 495.37 | J/mol×K | 784.66 | Joback Calculated Property |
| Cp,gas | 506.02 | J/mol×K | 820.11 | Joback Calculated Property |
| η | [0.0001449; 0.0015502] | Pa×s | [343.53; 607.44] |
|
| η | 0.0015502 | Pa×s | 343.53 | Joback Calculated Property |
| η | 0.0008347 | Pa×s | 387.51 | Joback Calculated Property |
| η | 0.0005098 | Pa×s | 431.50 | Joback Calculated Property |
| η | 0.0003412 | Pa×s | 475.49 | Joback Calculated Property |
| η | 0.0002444 | Pa×s | 519.47 | Joback Calculated Property |
| η | 0.0001844 | Pa×s | 563.46 | Joback Calculated Property |
| η | 0.0001449 | Pa×s | 607.44 | Joback Calculated Property |
Similar Compounds
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Sources
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