- InChI
- InChI=1S/C7H12Cl2O2/c1-5(2)7(10)11-4-6(9)3-8/h5-6H,3-4H2,1-2H3
- InChI Key
- QVKBGXGFHZCSQM-UHFFFAOYSA-N
- Formula
- C7H12Cl2O2
- SMILES
- CC(C)C(=O)OCC(Cl)CCl
- Molecular Weight1
- 199.08
- Other Names
-
- 1-Propanol, 2,3-dichloro, 2-methylpropanoate
- ω : Acentric Factor.
- 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).
- 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 | 0.4922 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -572.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.45 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.032 | Crippen Calculated Property | |
| McVol | 141.410 | ml/mol | McGowan Calculated Property |
| Pc | 2648.83 | kPa | Joback Calculated Property |
| Inp | 1177.00 | NIST | |
| Tboil | 474.05 | K | Relay (1.0) Calculated Property |
| Tc | 682.52 | K | Relay (1.0) Calculated Property |
| Tfus | 250.74 | K | Relay (1.0) Calculated Property |
| Vc | 0.510 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [287.81; 347.47] | J/mol×K | [491.96; 685.34] | 
|
| Cp,gas | 287.81 | J/mol×K | 491.96 | Joback Calculated Property |
| Cp,gas | 299.08 | J/mol×K | 524.19 | Joback Calculated Property |
| Cp,gas | 309.81 | J/mol×K | 556.42 | Joback Calculated Property |
| Cp,gas | 320.01 | J/mol×K | 588.65 | Joback Calculated Property |
| Cp,gas | 329.68 | J/mol×K | 620.88 | Joback Calculated Property |
| Cp,gas | 338.83 | J/mol×K | 653.11 | Joback Calculated Property |
| Cp,gas | 347.47 | J/mol×K | 685.34 | Joback Calculated Property |
| η | [0.0002361; 0.0102239] | Pa×s | [240.82; 491.96] |
|
| η | 0.0102239 | Pa×s | 240.82 | Joback Calculated Property |
| η | 0.0034273 | Pa×s | 282.68 | Joback Calculated Property |
| η | 0.0015231 | Pa×s | 324.53 | Joback Calculated Property |
| η | 0.0008146 | Pa×s | 366.39 | Joback Calculated Property |
| η | 0.0004954 | Pa×s | 408.25 | Joback Calculated Property |
| η | 0.0003304 | Pa×s | 450.10 | Joback Calculated Property |
| η | 0.0002361 | Pa×s | 491.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-Dichloropropyl isobutyrate.
Sources
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