- InChI
- InChI=1S/C8H14Cl2O2/c1-6(2)4-7(11)12-8(3,10)5-9/h6H,4-5H2,1-3H3
- InChI Key
- HOYDHGBXJGTXGW-UHFFFAOYSA-N
- Formula
- C8H14Cl2O2
- SMILES
- CC(C)CC(=O)OC(C)(Cl)CCl
- Molecular Weight1
- 213.10
- 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.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -638.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.44 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.769 | Crippen Calculated Property | |
| McVol | 155.500 | ml/mol | McGowan Calculated Property |
| Inp | [1252.00; 1252.00] |
|
|
| Inp | 1252.00 | NIST | |
| Inp | 1252.00 | NIST | |
| Tboil | 450.82 | K | Relay (1.0) Calculated Property |
| Tc | 687.96 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, 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 | [216.56; 458.71] | 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 | 2.06520e+01 | |||
| Coefficient B | 8.54360e-01 | |||
| Coefficient C | -5.32600e-04 | |||
| Coefficient D | 1.16300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 216.56 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 261.40 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 300.89 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 335.41 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 365.32 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 391.00 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 412.81 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 431.12 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 446.30 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 458.71 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0082451; 0.0002424] | Pa×s | [269.51; 497.42] |
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 | -1.24952e+01 | |||
| Coefficient B | 2.07444e+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. | 269.51 | |||
| Temperature range, max. | 497.42 | |||
| η | 0.0082451 | Pa×s | 269.51 | Calculated Property |
| η | 0.0042567 | Pa×s | 294.83 | Calculated Property |
| η | 0.0024399 | Pa×s | 320.16 | Calculated Property |
| η | 0.0015174 | Pa×s | 345.48 | Calculated Property |
| η | 0.0010070 | Pa×s | 370.81 | Calculated Property |
| η | 0.0007042 | Pa×s | 396.13 | Calculated Property |
| η | 0.0005141 | Pa×s | 421.45 | Calculated Property |
| η | 0.0003889 | Pa×s | 446.78 | Calculated Property |
| η | 0.0003032 | Pa×s | 472.10 | Calculated Property |
| η | 0.0002424 | Pa×s | 497.42 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Dichloroisopropyl isopentanoate.
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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