- InChI
- InChI=1S/C4H4Cl4O/c1-2(5)3(9)4(6,7)8/h2H,1H3
- InChI Key
- XUXXNYSMGGGDNV-UHFFFAOYSA-N
- Formula
- C4H4Cl4O
- SMILES
- CC(Cl)C(=O)C(Cl)(Cl)Cl
- Molecular Weight1
- 209.89
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 0.2780 | Relay (... Calculated Property | |
| ΔfG° | -193.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -290.30 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 13.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.73 | kJ/mol | Relay (... Calculated Property |
| IE | 10.13 | eV | Relay (... Calculated Property |
| log10WS | -2.32 | Relay (... Calculated Property | |
| logPoct/wat | 2.553 | Crippen Calculated Property | |
| McVol | 117.750 | ml/mol | McGowan Calculated Property |
| Pc | 3628.97 | kPa | Joback Calculated Property |
| Inp | [1024.00; 1037.00] |
|
|
| Inp | 1024.00 | NIST | |
| Inp | 1031.00 | NIST | |
| Inp | 1032.00 | NIST | |
| Inp | 1037.00 | NIST | |
| Inp | 1024.00 | NIST | |
| Tboil | 453.50 | K | Relay (... Calculated Property |
| Tc | 662.05 | K | Relay (... Calculated Property |
| Tfus | 279.40 | K | Relay (... Calculated Property |
| Vc | 0.402 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [196.59; 228.95] | J/mol×K | [490.84; 718.27] |
|
| Cp,gas | 196.59 | J/mol×K | 490.84 | Joback Calculated Property |
| Cp,gas | 203.41 | J/mol×K | 528.75 | Joback Calculated Property |
| Cp,gas | 209.59 | J/mol×K | 566.65 | Joback Calculated Property |
| Cp,gas | 215.19 | J/mol×K | 604.56 | Joback Calculated Property |
| Cp,gas | 220.26 | J/mol×K | 642.46 | Joback Calculated Property |
| Cp,gas | 224.83 | J/mol×K | 680.37 | Joback Calculated Property |
| Cp,gas | 228.95 | J/mol×K | 718.27 | Joback Calculated Property |
| η | [0.0004009; 0.0055872] | Pa×s | [291.87; 490.84] |
|
| η | 0.0055872 | Pa×s | 291.87 | Joback Calculated Property |
| η | 0.0028789 | Pa×s | 325.03 | Joback Calculated Property |
| η | 0.0016772 | Pa×s | 358.19 | Joback Calculated Property |
| η | 0.0010707 | Pa×s | 391.36 | Joback Calculated Property |
| η | 0.0007332 | Pa×s | 424.52 | Joback Calculated Property |
| η | 0.0005304 | Pa×s | 457.68 | Joback Calculated Property |
| η | 0.0004009 | Pa×s | 490.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butanone, 1,1,1,3-tetrachloro.
Sources
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