- InChI
- InChI=1S/C12H14Cl2/c1-9(2)11(8-12(11,13)14)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
- InChI Key
- PCUHSCWFSBEVAG-UHFFFAOYSA-N
- Formula
- C12H14Cl2
- SMILES
- CC(C)C1(c2ccccc2)CC1(Cl)Cl
- Molecular Weight1
- 229.15
- ω : Acentric Factor.
- 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).
- 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.
- I : 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 | 0.3219 | Relay (1.0) Calculated Property | |
| ΔfG° | 178.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 63.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.158 | Crippen Calculated Property | |
| McVol | 169.800 | ml/mol | McGowan Calculated Property |
| Pc | 2718.33 | kPa | Joback Calculated Property |
| Inp | [1439.00; 1439.00] |
|
|
| Inp | 1439.00 | NIST | |
| Inp | 1439.00 | NIST | |
| I | [1911.00; 1911.00] |
|
|
| I | 1911.00 | NIST | |
| I | 1911.00 | NIST | |
| Tboil | 525.32 | K | Relay (1.0) Calculated Property |
| Tc | 771.14 | K | Relay (1.0) Calculated Property |
| Tfus | 290.40 | K | Relay (1.0) Calculated Property |
| Vc | 0.587 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [390.23; 473.40] | J/mol×K | [577.61; 826.31] |
|
| Cp,gas | 390.23 | J/mol×K | 577.61 | Joback Calculated Property |
| Cp,gas | 406.08 | J/mol×K | 619.06 | Joback Calculated Property |
| Cp,gas | 420.65 | J/mol×K | 660.51 | Joback Calculated Property |
| Cp,gas | 434.31 | J/mol×K | 701.96 | Joback Calculated Property |
| Cp,gas | 447.42 | J/mol×K | 743.41 | Joback Calculated Property |
| Cp,gas | 460.33 | J/mol×K | 784.86 | Joback Calculated Property |
| Cp,gas | 473.40 | J/mol×K | 826.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopropane, 1,1-dichloro-2-(1-methylethyl)-2-phenyl.
Sources
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