- InChI
- InChI=1S/C5H8Cl2O/c6-4-2-1-3-5(7)8-4/h4-5H,1-3H2
- InChI Key
- VPNYLBRZFCLADG-UHFFFAOYSA-N
- Formula
- C5H8Cl2O
- SMILES
- ClC1CCCC(Cl)O1
- 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 | -282.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.93 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.317 | Crippen Calculated Property | |
| McVol | 100.800 | ml/mol | McGowan Calculated Property |
| Inp | [1095.00; 1095.00] |
|
|
| Inp | 1095.00 | NIST | |
| Inp | 1095.00 | NIST | |
| Tboil | 459.05 | 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 | [119.87; 305.08] | 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 | -1.82200e+01 | |||
| Coefficient B | 5.85000e-01 | |||
| Coefficient C | -3.00700e-04 | |||
| Coefficient D | 3.90000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 119.87 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 152.83 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 182.41 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 208.73 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 231.91 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 252.08 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 269.36 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 283.87 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 295.73 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 305.08 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0044123; 0.0003531] | Pa×s | [235.66; 457.51] |
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 | -1.06314e+01 | |||
| Coefficient B | 1.22733e+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. | 235.66 | |||
| Temperature range, max. | 457.51 | |||
| η | 0.0044123 | Pa×s | 235.66 | Calculated Property |
| η | 0.0026945 | Pa×s | 260.31 | Calculated Property |
| η | 0.0017920 | Pa×s | 284.96 | Calculated Property |
| η | 0.0012718 | Pa×s | 309.61 | Calculated Property |
| η | 0.0009494 | Pa×s | 334.26 | Calculated Property |
| η | 0.0007378 | Pa×s | 358.91 | Calculated Property |
| η | 0.0005922 | Pa×s | 383.56 | Calculated Property |
| η | 0.0004882 | Pa×s | 408.21 | Calculated Property |
| η | 0.0004114 | Pa×s | 432.86 | Calculated Property |
| η | 0.0003531 | Pa×s | 457.51 | Calculated Property |
Similar Compounds
Find more compounds similar to 2H-Pyran, tetrahydro, 2,6-dichloro, # 2.
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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