- InChI
- InChI=1S/C4H6Cl2O2/c1-3(7)8-2-4(5)6/h4H,2H2,1H3
- InChI Key
- DBEYJHSHTGBZIM-UHFFFAOYSA-N
- Formula
- C4H6Cl2O2
- SMILES
- CC(=O)OCC(Cl)Cl
- Molecular Weight1
- 157.00
- CAS
- 53942-53-3
- Other Names
-
- Ethanol, 2,2-dichloro-, 1-acetate
- Acetic acid 2,2-dichloroethyl ester
- Ethanol, 2,2-dichloro-, acetate
- 2,2-Dichloroethyl acetate
- 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.
- I : 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 | 0.3944 | Relay (1.0) Calculated Property | |
| ΔfG° | -353.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -480.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.353 | Crippen Calculated Property | |
| McVol | 99.140 | ml/mol | McGowan Calculated Property |
| Pc | 3615.89 | kPa | Joback Calculated Property |
| Inp | [892.00; 924.80] |
|
|
| Inp | 892.00 | NIST | |
| Inp | 911.00 | NIST | |
| Inp | 919.00 | NIST | |
| Inp | 899.00 | NIST | |
| Inp | 924.80 | NIST | |
| I | [1426.00; 1480.00] |
|
|
| I | 1426.00 | NIST | |
| I | 1465.00 | NIST | |
| I | 1451.00 | NIST | |
| I | 1480.00 | NIST | |
| I | 1447.00 | NIST | |
| I | 1447.00 | NIST | |
| Tboil | 439.14 | K | Relay (1.0) Calculated Property |
| Tc | 631.29 | K | Relay (1.0) Calculated Property |
| Tfus | 236.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.359 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [133.17; 250.88] | 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 | 4.87610e+01 | |||
| Coefficient B | 3.48520e-01 | |||
| Coefficient C | -1.43200e-04 | |||
| Coefficient D | -3.20000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 133.17 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 154.00 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 172.91 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 189.90 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 204.95 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 218.07 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 229.23 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 238.42 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 245.64 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 250.88 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0073958; 0.0003008] | Pa×s | [222.01; 433.48] |
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 | -1.14708e+01 | |||
| Coefficient B | 1.45726e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 222.01 | |||
| Temperature range, max. | 433.48 | |||
| η | 0.0073958 | Pa×s | 222.01 | Calculated Property |
| η | 0.0039460 | Pa×s | 245.51 | Calculated Property |
| η | 0.0023496 | Pa×s | 269.00 | Calculated Property |
| η | 0.0015206 | Pa×s | 292.50 | Calculated Property |
| η | 0.0010498 | Pa×s | 315.99 | Calculated Property |
| η | 0.0007630 | Pa×s | 339.49 | Calculated Property |
| η | 0.0005779 | Pa×s | 362.99 | Calculated Property |
| η | 0.0004527 | Pa×s | 386.48 | Calculated Property |
| η | 0.0003647 | Pa×s | 409.98 | Calculated Property |
| η | 0.0003008 | Pa×s | 433.48 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,2-Dichloroethanol, acetate.
Sources
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