- 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.
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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [334.10; 400.55] | J/mol×K | [512.05; 710.61] |
|
| Cp,gas | 334.10 | J/mol×K | 512.05 | Joback Calculated Property |
| Cp,gas | 346.96 | J/mol×K | 545.14 | Joback Calculated Property |
| Cp,gas | 359.08 | J/mol×K | 578.24 | Joback Calculated Property |
| Cp,gas | 370.47 | J/mol×K | 611.33 | Joback Calculated Property |
| Cp,gas | 381.17 | J/mol×K | 644.42 | Joback Calculated Property |
| Cp,gas | 391.18 | J/mol×K | 677.51 | Joback Calculated Property |
| Cp,gas | 400.55 | J/mol×K | 710.61 | Joback Calculated Property |
| η | [0.0002152; 0.0082451] | Pa×s | [269.51; 512.05] |
|
| η | 0.0082451 | Pa×s | 269.51 | Joback Calculated Property |
| η | 0.0030214 | Pa×s | 309.93 | Joback Calculated Property |
| η | 0.0013958 | Pa×s | 350.36 | Joback Calculated Property |
| η | 0.0007565 | Pa×s | 390.78 | Joback Calculated Property |
| η | 0.0004599 | Pa×s | 431.20 | Joback Calculated Property |
| η | 0.0003045 | Pa×s | 471.63 | Joback Calculated Property |
| η | 0.0002152 | Pa×s | 512.05 | Joback 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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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