- InChI
- InChI=1S/C8H5Cl3O/c1-4(12)5-2-7(10)8(11)3-6(5)9/h2-3H,1H3
- InChI Key
- OPPQOJRXXODMKR-UHFFFAOYSA-N
- Formula
- C8H5Cl3O
- SMILES
- CC(=O)c1cc(Cl)c(Cl)cc1Cl
- Molecular Weight1
- 223.48
- CAS
- 13061-28-4
- Other Names
-
- 1-(2,4,5-trichlorophenyl)ethan-1-one
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -64.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -166.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.56 | kJ/mol | Joback Calculated Property |
| log10WS | -4.19 | Crippen Calculated Property | |
| logPoct/wat | 3.849 | Crippen Calculated Property | |
| McVol | 138.110 | ml/mol | McGowan Calculated Property |
| Pc | 3272.78 | kPa | Joback Calculated Property |
| Inp | [1463.00; 1486.00] |
|
|
| Inp | 1463.00 | NIST | |
| Inp | 1481.00 | NIST | |
| Inp | 1486.00 | NIST | |
| Inp | 1474.00 | NIST | |
| Inp | 1463.00 | NIST | |
| Tboil | 590.22 | K | Joback Calculated Property |
| Tc | 830.14 | K | Joback Calculated Property |
| Tfus | 383.59 | K | Joback Calculated Property |
| Vc | 0.528 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [256.97; 299.21] | J/mol×K | [590.22; 830.14] |
|
| Cp,gas | 256.97 | J/mol×K | 590.22 | Joback Calculated Property |
| Cp,gas | 265.42 | J/mol×K | 630.21 | Joback Calculated Property |
| Cp,gas | 273.28 | J/mol×K | 670.19 | Joback Calculated Property |
| Cp,gas | 280.56 | J/mol×K | 710.18 | Joback Calculated Property |
| Cp,gas | 287.30 | J/mol×K | 750.17 | Joback Calculated Property |
| Cp,gas | 293.51 | J/mol×K | 790.16 | Joback Calculated Property |
| Cp,gas | 299.21 | J/mol×K | 830.14 | Joback Calculated Property |
| η | [0.0002821; 0.0013352] | Pa×s | [383.59; 590.22] |
|
| η | 0.0013352 | Pa×s | 383.59 | Joback Calculated Property |
| η | 0.0009261 | Pa×s | 418.03 | Joback Calculated Property |
| η | 0.0006791 | Pa×s | 452.47 | Joback Calculated Property |
| η | 0.0005204 | Pa×s | 486.91 | Joback Calculated Property |
| η | 0.0004130 | Pa×s | 521.34 | Joback Calculated Property |
| η | 0.0003373 | Pa×s | 555.78 | Joback Calculated Property |
| η | 0.0002821 | Pa×s | 590.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethanone, 1-(2,4,5-trichlorophenyl)-.
Sources
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