- InChI
- InChI=1S/C9H8Cl2O2/c10-8(11)6-13-9(12)7-4-2-1-3-5-7/h1-5,8H,6H2
- InChI Key
- PQOOXAVSUMDZHX-UHFFFAOYSA-N
- Formula
- C9H8Cl2O2
- SMILES
- O=C(OCC(Cl)Cl)c1ccccc1
- Molecular Weight1
- 219.06
- Other Names
-
- Benzoic acid, 2,2-dichloroethyl ester
- Ethanol, 2,2-dichloro, benzoate
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -122.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -274.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.44 | kJ/mol | Joback Calculated Property |
| log10WS | -3.05 | Crippen Calculated Property | |
| logPoct/wat | 2.647 | Crippen Calculated Property | |
| McVol | 145.830 | ml/mol | McGowan Calculated Property |
| Pc | 3188.33 | kPa | Joback Calculated Property |
| Inp | [1453.00; 1485.00] |
|
|
| Inp | 1465.00 | NIST | |
| Inp | 1462.00 | NIST | |
| Inp | 1482.00 | NIST | |
| Inp | 1462.00 | NIST | |
| Inp | 1470.00 | NIST | |
| Inp | 1485.00 | NIST | |
| Inp | 1472.00 | NIST | |
| Inp | 1456.00 | NIST | |
| Inp | 1459.00 | NIST | |
| Inp | 1453.00 | NIST | |
| I | [2192.00; 2267.00] |
|
|
| I | 2226.00 | NIST | |
| I | 2231.00 | NIST | |
| I | 2267.00 | NIST | |
| I | 2192.00 | NIST | |
| I | 2192.00 | NIST | |
| Tboil | 582.71 | K | Joback Calculated Property |
| Tc | 812.83 | K | Joback Calculated Property |
| Tfus | 334.61 | K | Joback Calculated Property |
| Vc | 0.547 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [305.63; 361.97] | J/mol×K | [582.71; 812.83] |
|
| Cp,gas | 305.63 | J/mol×K | 582.71 | Joback Calculated Property |
| Cp,gas | 316.93 | J/mol×K | 621.06 | Joback Calculated Property |
| Cp,gas | 327.44 | J/mol×K | 659.42 | Joback Calculated Property |
| Cp,gas | 337.17 | J/mol×K | 697.77 | Joback Calculated Property |
| Cp,gas | 346.15 | J/mol×K | 736.13 | Joback Calculated Property |
| Cp,gas | 354.41 | J/mol×K | 774.48 | Joback Calculated Property |
| Cp,gas | 361.97 | J/mol×K | 812.83 | Joback Calculated Property |
| η | [0.0002123; 0.0025069] | Pa×s | [334.61; 582.71] |
|
| η | 0.0025069 | Pa×s | 334.61 | Joback Calculated Property |
| η | 0.0013249 | Pa×s | 375.96 | Joback Calculated Property |
| η | 0.0007946 | Pa×s | 417.31 | Joback Calculated Property |
| η | 0.0005225 | Pa×s | 458.66 | Joback Calculated Property |
| η | 0.0003683 | Pa×s | 500.01 | Joback Calculated Property |
| η | 0.0002738 | Pa×s | 541.36 | Joback Calculated Property |
| η | 0.0002123 | Pa×s | 582.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2-Dichloroethyl benzoate.
Sources
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