- InChI
- InChI=1S/C5H8Cl2O3/c1-2-9-5(8)10-3-4(6)7/h4H,2-3H2,1H3
- InChI Key
- WKLDGFBVDZTSMP-UHFFFAOYSA-N
- Formula
- C5H8Cl2O3
- SMILES
- CCOC(=O)OCC(Cl)Cl
- Molecular Weight1
- 187.02
- 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 | 0.4867 | Relay (1.0) Calculated Property | |
| ΔfG° | -450.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -657.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.963 | Crippen Calculated Property | |
| McVol | 119.100 | ml/mol | McGowan Calculated Property |
| Pc | 3170.40 | kPa | Joback Calculated Property |
| Inp | 1085.00 | NIST | |
| Tboil | 472.84 | K | Relay (1.0) Calculated Property |
| Tc | 636.07 | K | Relay (1.0) Calculated Property |
| Tfus | 252.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.443 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [169.79; 320.97] | 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 | 7.33520e+01 | |||
| Coefficient B | 3.80320e-01 | |||
| Coefficient C | -8.66000e-05 | |||
| Coefficient D | -4.61000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 169.79 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 195.02 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 218.49 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 240.04 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 259.53 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 276.81 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 291.74 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 304.18 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 313.97 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 320.97 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0048388; 0.0002569] | Pa×s | [255.51; 463.09] |
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 | -1.18808e+01 | |||
| Coefficient B | 1.67351e+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. | 255.51 | |||
| Temperature range, max. | 463.09 | |||
| η | 0.0048388 | Pa×s | 255.51 | Calculated Property |
| η | 0.0028134 | Pa×s | 278.57 | Calculated Property |
| η | 0.0017772 | Pa×s | 301.64 | Calculated Property |
| η | 0.0011984 | Pa×s | 324.70 | Calculated Property |
| η | 0.0008514 | Pa×s | 347.77 | Calculated Property |
| η | 0.0006312 | Pa×s | 370.83 | Calculated Property |
| η | 0.0004846 | Pa×s | 393.90 | Calculated Property |
| η | 0.0003831 | Pa×s | 416.96 | Calculated Property |
| η | 0.0003104 | Pa×s | 440.02 | Calculated Property |
| η | 0.0002569 | Pa×s | 463.09 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,2-Dichloroethyl ethyl carbonate.
Sources
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