- InChI
- InChI=1S/C3HCl5O/c4-2(5)1(9)3(6,7)8/h2H
- InChI Key
- RVSIFWBAGVMQKT-UHFFFAOYSA-N
- Formula
- C3HCl5O
- SMILES
- O=C(C(Cl)Cl)C(Cl)(Cl)Cl
- Molecular Weight1
- 230.31
- Other Names
-
- Pentachloroacetone
- 1,1,1,3,3-Pentachloropropanone
- 2-Propanone, pentachloro-
- Pentachloropropanone
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -258.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.17 | kJ/mol | Joback Calculated Property |
| IE | 10.35 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.729 | Crippen Calculated Property | |
| McVol | 115.900 | ml/mol | McGowan Calculated Property |
| Tboil | 465.20 | K | NIST |
| Tfus | 284.97 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [176.81; 197.21] | J/mol×K | [505.39; 742.44] | 
|
| Cp,gas | 176.81 | J/mol×K | 505.39 | Joback Calculated Property |
| Cp,gas | 181.47 | J/mol×K | 544.90 | Joback Calculated Property |
| Cp,gas | 185.56 | J/mol×K | 584.41 | Joback Calculated Property |
| Cp,gas | 189.13 | J/mol×K | 623.91 | Joback Calculated Property |
| Cp,gas | 192.23 | J/mol×K | 663.42 | Joback Calculated Property |
| Cp,gas | 194.91 | J/mol×K | 702.93 | Joback Calculated Property |
| Cp,gas | 197.21 | J/mol×K | 742.44 | Joback Calculated Property |
| η | [0.0004169; 0.0048378] | Pa×s | [310.52; 505.39] |
|
| η | 0.0048378 | Pa×s | 310.52 | Joback Calculated Property |
| η | 0.0026498 | Pa×s | 343.00 | Joback Calculated Property |
| η | 0.0016107 | Pa×s | 375.48 | Joback Calculated Property |
| η | 0.0010598 | Pa×s | 407.95 | Joback Calculated Property |
| η | 0.0007418 | Pa×s | 440.43 | Joback Calculated Property |
| η | 0.0005452 | Pa×s | 472.91 | Joback Calculated Property |
| η | 0.0004169 | Pa×s | 505.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propanone, 1,1,1,3,3-pentachloro-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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