- InChI
- InChI=1S/C4Cl4O/c5-1-2(6)4(7,8)3(1)9
- InChI Key
- NWDONRNKYCKRNT-UHFFFAOYSA-N
- Formula
- C4Cl4O
- SMILES
- O=C1C(Cl)=C(Cl)C1(Cl)Cl
- Molecular Weight1
- 205.85
- CAS
- 3200-96-2
- Other Names
-
- 2-Cyclobuten-1-one, 2,3,4,4-tetrachloro-
- Perchloro-2-cyclobuten-1-one
- Perchloro-2-cyclobutene-1-one
- Perchlorocyclobut-2-enone
- Tetrachlorocyclobutenone
- tetrachlorocyclobut-2-enone
- 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).
- 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 | 0.3052 | Relay (... Calculated Property | |
| ΔfG° | -133.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -94.32 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 12.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.65 | kJ/mol | Relay (... Calculated Property |
| IE | 9.83 | eV | Relay (... Calculated Property |
| log10WS | -3.23 | Relay (... Calculated Property | |
| logPoct/wat | 2.432 | Crippen Calculated Property | |
| McVol | 102.590 | ml/mol | McGowan Calculated Property |
| Pc | 4391.59 | kPa | Joback Calculated Property |
| Tboil | 461.97 | K | Relay (... Calculated Property |
| Tc | 746.31 | K | Relay (... Calculated Property |
| Tfus | 329.67 | K | Relay (... Calculated Property |
| Vc | 0.365 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [159.47; 183.39] | J/mol×K | [528.83; 785.85] | 
|
| Cp,gas | 159.47 | J/mol×K | 528.83 | Joback Calculated Property |
| Cp,gas | 164.01 | J/mol×K | 571.67 | Joback Calculated Property |
| Cp,gas | 168.16 | J/mol×K | 614.50 | Joback Calculated Property |
| Cp,gas | 172.03 | J/mol×K | 657.34 | Joback Calculated Property |
| Cp,gas | 175.78 | J/mol×K | 700.18 | Joback Calculated Property |
| Cp,gas | 179.52 | J/mol×K | 743.02 | Joback Calculated Property |
| Cp,gas | 183.39 | J/mol×K | 785.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Perchlorocyclobutenone.
Sources
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