- InChI
- InChI=1S/C4HCl5/c5-2(4(8)9)1-3(6)7/h1H
- InChI Key
- WVFBDVFCOCLEFM-UHFFFAOYSA-N
- Formula
- C4HCl5
- SMILES
- ClC(Cl)=CC(Cl)=C(Cl)Cl
- Molecular Weight1
- 226.32
- 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).
- 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° | 57.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 0.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.58 | kJ/mol | Joback Calculated Property |
| log10WS | -4.23 | Aq. Sol... | |
| logPoct/wat | 4.191 | Crippen Calculated Property | |
| McVol | 119.820 | ml/mol | McGowan Calculated Property |
| Pc | 3594.25 | kPa | Joback Calculated Property |
| Tboil | 486.03 | K | Joback Calculated Property |
| Tc | 724.46 | K | Joback Calculated Property |
| Tfus | 232.40 | K | Joback Calculated Property |
| Vc | 0.468 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [168.38; 189.93] | J/mol×K | [486.03; 724.46] | 
|
| Cp,gas | 168.38 | J/mol×K | 486.03 | Joback Calculated Property |
| Cp,gas | 173.20 | J/mol×K | 525.77 | Joback Calculated Property |
| Cp,gas | 177.43 | J/mol×K | 565.51 | Joback Calculated Property |
| Cp,gas | 181.15 | J/mol×K | 605.25 | Joback Calculated Property |
| Cp,gas | 184.43 | J/mol×K | 644.99 | Joback Calculated Property |
| Cp,gas | 187.33 | J/mol×K | 684.72 | Joback Calculated Property |
| Cp,gas | 189.93 | J/mol×K | 724.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,1,2,4,4-pentachlorobuta-1,3-diene.
Sources
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