- InChI
- InChI=1S/C13H16Cl2/c1-2-3-9-11-12(13(11,14)15)10-7-5-4-6-8-10/h4-8,11-12H,2-3,9H2,1H3
- InChI Key
- QGEAMIYGNOJAQK-UHFFFAOYSA-N
- Formula
- C13H16Cl2
- SMILES
- CCCCC1C(c2ccccc2)C1(Cl)Cl
- Molecular Weight1
- 243.17
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 186.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -59.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.72 | kJ/mol | Joback Calculated Property |
| log10WS | -4.90 | Crippen Calculated Property | |
| logPoct/wat | 4.764 | Crippen Calculated Property | |
| McVol | 183.890 | ml/mol | McGowan Calculated Property |
| Pc | 2267.57 | kPa | Joback Calculated Property |
| Inp | [1596.00; 1596.00] |
|
|
| Inp | 1596.00 | NIST | |
| Inp | 1596.00 | NIST | |
| I | [2075.00; 2075.00] |
|
|
| I | 2075.00 | NIST | |
| I | 2075.00 | NIST | |
| Tboil | 596.02 | K | Joback Calculated Property |
| Tc | 824.74 | K | Joback Calculated Property |
| Tfus | 355.89 | K | Joback Calculated Property |
| Vc | 0.707 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [441.72; 529.56] | J/mol×K | [596.02; 824.74] |
|
| Cp,gas | 441.72 | J/mol×K | 596.02 | Joback Calculated Property |
| Cp,gas | 458.63 | J/mol×K | 634.14 | Joback Calculated Property |
| Cp,gas | 474.40 | J/mol×K | 672.26 | Joback Calculated Property |
| Cp,gas | 489.20 | J/mol×K | 710.38 | Joback Calculated Property |
| Cp,gas | 503.21 | J/mol×K | 748.50 | Joback Calculated Property |
| Cp,gas | 516.61 | J/mol×K | 786.62 | Joback Calculated Property |
| Cp,gas | 529.56 | J/mol×K | 824.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopropane, 1,1-dichloro-2-butyl-3-phenyl.
Sources
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