- InChI
- InChI=1S/C7H12Cl2O2/c1-4(2)5(3)11-7(10)6(8)9/h4-6H,1-3H3
- InChI Key
- VVJYTELLIBXTPJ-UHFFFAOYSA-N
- Formula
- C7H12Cl2O2
- SMILES
- CC(C)C(C)OC(=O)C(Cl)Cl
- Molecular Weight1
- 199.08
- 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.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -550.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.97 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.378 | Crippen Calculated Property | |
| McVol | 141.410 | ml/mol | McGowan Calculated Property |
| Inp | [1084.00; 1084.00] |
|
|
| Inp | 1084.00 | NIST | |
| Inp | 1084.00 | NIST | |
| Ip | [1476.00; 1476.00] |
|
|
| Ip | 1476.00 | NIST | |
| Ip | 1476.00 | NIST | |
| Tboil | 454.02 | K | Relay (1.0) Calculated Property |
| Tfus | 250.94 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [196.18; 406.73] | 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 | 4.26700e+01 | |||
| Coefficient B | 6.45360e-01 | |||
| Coefficient C | -3.12800e-04 | |||
| Coefficient D | 3.15000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 196.18 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 233.23 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 266.63 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 296.49 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 322.90 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 345.96 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 365.77 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 382.44 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 396.06 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 406.73 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0172619; 0.0002399] | Pa×s | [225.82; 482.43] |
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 | -1.20983e+01 | |||
| Coefficient B | 1.81538e+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. | 225.82 | |||
| Temperature range, max. | 482.43 | |||
| η | 0.0172619 | Pa×s | 225.82 | Calculated Property |
| η | 0.0070095 | Pa×s | 254.33 | Calculated Property |
| η | 0.0034135 | Pa×s | 282.84 | Calculated Property |
| η | 0.0018964 | Pa×s | 311.36 | Calculated Property |
| η | 0.0011628 | Pa×s | 339.87 | Calculated Property |
| η | 0.0007691 | Pa×s | 368.38 | Calculated Property |
| η | 0.0005398 | Pa×s | 396.89 | Calculated Property |
| η | 0.0003973 | Pa×s | 425.41 | Calculated Property |
| η | 0.0003039 | Pa×s | 453.92 | Calculated Property |
| η | 0.0002399 | Pa×s | 482.43 | Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, dichloro, 1,2-dimethylpropyl ester.
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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