- InChI
- InChI=1S/C13H16Cl2/c1-11(2,3)12(9-13(12,14)15)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
- InChI Key
- SMJHMZZCWZEYDY-UHFFFAOYSA-N
- Formula
- C13H16Cl2
- SMILES
- CC(C)(C)C1(c2ccccc2)CC1(Cl)Cl
- Molecular Weight1
- 243.17
- 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 | 0.3251 | Relay (1.0) Calculated Property | |
| ΔfG° | 192.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 18.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.548 | Crippen Calculated Property | |
| McVol | 183.890 | ml/mol | McGowan Calculated Property |
| Pc | 2492.52 | kPa | Joback Calculated Property |
| Inp | [1533.00; 1533.00] |
|
|
| Inp | 1533.00 | NIST | |
| Inp | 1533.00 | NIST | |
| I | [2030.00; 2030.00] |
|
|
| I | 2030.00 | NIST | |
| I | 2030.00 | NIST | |
| Tboil | 537.27 | K | Relay (1.0) Calculated Property |
| Tc | 786.05 | K | Relay (1.0) Calculated Property |
| Tfus | 349.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.637 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [441.18; 531.21] | J/mol×K | [597.70; 851.40] |
|
| Cp,gas | 441.18 | J/mol×K | 597.70 | Joback Calculated Property |
| Cp,gas | 458.18 | J/mol×K | 639.98 | Joback Calculated Property |
| Cp,gas | 473.82 | J/mol×K | 682.27 | Joback Calculated Property |
| Cp,gas | 488.52 | J/mol×K | 724.55 | Joback Calculated Property |
| Cp,gas | 502.70 | J/mol×K | 766.83 | Joback Calculated Property |
| Cp,gas | 516.79 | J/mol×K | 809.12 | Joback Calculated Property |
| Cp,gas | 531.21 | J/mol×K | 851.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopropane, 1,1-dichloro-2-(1,1-dimethylethyl)-2-phenyl.
Sources
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