- InChI
- InChI=1S/C5H8Cl2O/c1-2-4(7)5(8)3-6/h4H,2-3H2,1H3
- InChI Key
- MPKIJLMDIGMYME-UHFFFAOYSA-N
- Formula
- C5H8Cl2O
- SMILES
- CCC(Cl)C(=O)CCl
- Molecular Weight1
- 155.02
- 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).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -318.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.06 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 1.812 | Crippen Calculated Property | |
| McVol | 107.360 | ml/mol | McGowan Calculated Property |
| Inp | [978.00; 978.00] |
|
|
| Inp | 978.00 | NIST | |
| Inp | 978.00 | NIST | |
| Tboil | 444.40 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [138.97; 283.38] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.98020e+01 | |||
| Coefficient B | 4.70320e-01 | |||
| Coefficient C | -2.73500e-04 | |||
| Coefficient D | 5.67600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 138.97 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 164.47 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 187.19 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 207.31 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 225.00 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 240.45 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 253.83 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 265.33 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 275.12 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 283.38 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0053985; 0.0003613] | Pa×s | [240.88; 448.28] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.10664e+01 | |||
| Coefficient B | 1.40789e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 240.88 | |||
| Temperature range, max. | 448.28 | |||
| η | 0.0053985 | Pa×s | 240.88 | Calculated Property |
| η | 0.0032406 | Pa×s | 263.92 | Calculated Property |
| η | 0.0021115 | Pa×s | 286.97 | Calculated Property |
| η | 0.0014662 | Pa×s | 310.01 | Calculated Property |
| η | 0.0010709 | Pa×s | 333.06 | Calculated Property |
| η | 0.0008146 | Pa×s | 356.10 | Calculated Property |
| η | 0.0006406 | Pa×s | 379.15 | Calculated Property |
| η | 0.0005178 | Pa×s | 402.19 | Calculated Property |
| η | 0.0004283 | Pa×s | 425.24 | Calculated Property |
| η | 0.0003613 | Pa×s | 448.28 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Pentanone, 1,3-dichloro.
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
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