- InChI
- InChI=1S/C12H16Cl2O/c1-2-3-4-7-15-9-10-8-11(13)5-6-12(10)14/h5-6,8H,2-4,7,9H2,1H3
- InChI Key
- SHFXRECICCDCIE-UHFFFAOYSA-N
- Formula
- C12H16Cl2O
- SMILES
- CCCCCOCc1cc(Cl)ccc1Cl
- 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 | 0.5993 | Relay (1.0) Calculated Property | |
| ΔfG° | 14.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -246.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.700 | Crippen Calculated Property | |
| McVol | 186.530 | ml/mol | McGowan Calculated Property |
| Pc | 2143.35 | kPa | Joback Calculated Property |
| Inp | 1704.00 | NIST | |
| Tboil | 558.14 | K | Relay (1.0) Calculated Property |
| Tc | 771.93 | K | Relay (1.0) Calculated Property |
| Tfus | 259.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.679 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [430.18; 504.17] | J/mol×K | [607.88; 816.32] | 
|
| Cp,gas | 430.18 | J/mol×K | 607.88 | Joback Calculated Property |
| Cp,gas | 444.38 | J/mol×K | 642.62 | Joback Calculated Property |
| Cp,gas | 457.81 | J/mol×K | 677.36 | Joback Calculated Property |
| Cp,gas | 470.49 | J/mol×K | 712.10 | Joback Calculated Property |
| Cp,gas | 482.43 | J/mol×K | 746.84 | Joback Calculated Property |
| Cp,gas | 493.65 | J/mol×K | 781.58 | Joback Calculated Property |
| Cp,gas | 504.17 | J/mol×K | 816.32 | Joback Calculated Property |
| η | [0.0001554; 0.0012696] | Pa×s | [358.53; 607.88] |
|
| η | 0.0012696 | Pa×s | 358.53 | Joback Calculated Property |
| η | 0.0007459 | Pa×s | 400.09 | Joback Calculated Property |
| η | 0.0004843 | Pa×s | 441.65 | Joback Calculated Property |
| η | 0.0003387 | Pa×s | 483.20 | Joback Calculated Property |
| η | 0.0002507 | Pa×s | 524.76 | Joback Calculated Property |
| η | 0.0001939 | Pa×s | 566.32 | Joback Calculated Property |
| η | 0.0001554 | Pa×s | 607.88 | Joback Calculated Property |
Similar Compounds
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Sources
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