- InChI
- InChI=1S/C4H5Cl3O/c1-2(5)3(8)4(6)7/h2,4H,1H3
- InChI Key
- QTGXVEKFZMQAHV-UHFFFAOYSA-N
- Formula
- C4H5Cl3O
- SMILES
- CC(Cl)C(=O)C(Cl)Cl
- Molecular Weight1
- 175.44
- 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 | 0.3307 | Relay (... Calculated Property | |
| ΔfG° | -186.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -295.01 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 13.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.31 | kJ/mol | Relay (... Calculated Property |
| IE | 10.10 | eV | Relay (... Calculated Property |
| log10WS | -1.13 | Relay (... Calculated Property | |
| logPoct/wat | 1.987 | Crippen Calculated Property | |
| McVol | 105.510 | ml/mol | McGowan Calculated Property |
| Pc | 3745.38 | kPa | Joback Calculated Property |
| Inp | [956.00; 971.00] |
|
|
| Inp | 956.00 | NIST | |
| Inp | 956.00 | NIST | |
| Inp | 956.00 | NIST | |
| Inp | 956.00 | NIST | |
| Inp | Outlier 971.00 | NIST | |
| Inp | 956.00 | NIST | |
| Tboil | 438.91 | K | Relay (... Calculated Property |
| Tc | 655.87 | K | Relay (... Calculated Property |
| Tfus | 288.41 | K | Relay (... Calculated Property |
| Vc | 0.369 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [173.49; 208.74] | J/mol×K | [456.20; 668.15] |
|
| Cp,gas | 173.49 | J/mol×K | 456.20 | Joback Calculated Property |
| Cp,gas | 180.34 | J/mol×K | 491.53 | Joback Calculated Property |
| Cp,gas | 186.79 | J/mol×K | 526.85 | Joback Calculated Property |
| Cp,gas | 192.83 | J/mol×K | 562.18 | Joback Calculated Property |
| Cp,gas | 198.50 | J/mol×K | 597.50 | Joback Calculated Property |
| Cp,gas | 203.80 | J/mol×K | 632.83 | Joback Calculated Property |
| Cp,gas | 208.74 | J/mol×K | 668.15 | Joback Calculated Property |
| η | [0.0003962; 0.0071264] | Pa×s | [244.53; 456.20] |
|
| η | 0.0071264 | Pa×s | 244.53 | Joback Calculated Property |
| η | 0.0032499 | Pa×s | 279.81 | Joback Calculated Property |
| η | 0.0017669 | Pa×s | 315.09 | Joback Calculated Property |
| η | 0.0010861 | Pa×s | 350.37 | Joback Calculated Property |
| η | 0.0007298 | Pa×s | 385.64 | Joback Calculated Property |
| η | 0.0005241 | Pa×s | 420.92 | Joback Calculated Property |
| η | 0.0003962 | Pa×s | 456.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butanone, 1,1,3-trichloro.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.