- InChI
- InChI=1S/C6H9Cl3/c7-5-1-3-6(8,9)4-2-5/h5H,1-4H2
- InChI Key
- VQJVXUJALLVQQW-UHFFFAOYSA-N
- Formula
- C6H9Cl3
- SMILES
- ClC1CCC(Cl)(Cl)CC1
- Molecular Weight1
- 187.50
- 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.
- 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 | 0.2697 | Relay (1.0) Calculated Property | |
| ΔfG° | -24.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -141.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.342 | Crippen Calculated Property | |
| McVol | 121.260 | ml/mol | McGowan Calculated Property |
| Pc | 3509.58 | kPa | Joback Calculated Property |
| Inp | [1167.00; 1169.00] |
|
|
| Inp | 1167.00 | NIST | |
| Inp | 1167.00 | NIST | |
| Inp | 1168.00 | NIST | |
| Inp | 1169.00 | NIST | |
| Inp | 1169.00 | NIST | |
| Inp | 1167.00 | NIST | |
| Tboil | 483.38 | K | Relay (1.0) Calculated Property |
| Tc | 702.02 | K | Relay (1.0) Calculated Property |
| Tfus | 263.82 | K | Relay (1.0) Calculated Property |
| Vc | 0.428 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [220.11; 288.06] | J/mol×K | [464.09; 702.00] |
|
| Cp,gas | 220.11 | J/mol×K | 464.09 | Joback Calculated Property |
| Cp,gas | 233.87 | J/mol×K | 503.74 | Joback Calculated Property |
| Cp,gas | 246.48 | J/mol×K | 543.39 | Joback Calculated Property |
| Cp,gas | 258.06 | J/mol×K | 583.04 | Joback Calculated Property |
| Cp,gas | 268.76 | J/mol×K | 622.70 | Joback Calculated Property |
| Cp,gas | 278.72 | J/mol×K | 662.35 | Joback Calculated Property |
| Cp,gas | 288.06 | J/mol×K | 702.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,1,4-Trichlorocyclohexane.
Sources
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