- InChI
- InChI=1S/C8H14Cl2O2/c1-6(2)3-8(11)12-5-7(10)4-9/h6-7H,3-5H2,1-2H3
- InChI Key
- PFULRUXYGVMVTG-UHFFFAOYSA-N
- Formula
- C8H14Cl2O2
- SMILES
- CC(C)CC(=O)OCC(Cl)CCl
- Molecular Weight1
- 213.10
- Other Names
-
- 1-Propanol, 2,3-dichloro, 3-methylbutanoate
- 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).
- IE : Ionization energy (eV).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -603.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.25 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.422 | Crippen Calculated Property | |
| McVol | 155.500 | ml/mol | McGowan Calculated Property |
| Pc | 2405.28 | kPa | Joback Calculated Property |
| Inp | [1271.00; 1271.00] |
|
|
| Inp | 1271.00 | NIST | |
| Inp | 1271.00 | NIST | |
| Tboil | 466.80 | K | Relay (1.0) Calculated Property |
| Tc | 697.57 | K | Relay (1.0) Calculated Property |
| Tfus | 247.62 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 | [331.07; 395.94] | J/mol×K | [514.84; 705.87] |
|
| Cp,gas | 331.07 | J/mol×K | 514.84 | Joback Calculated Property |
| Cp,gas | 343.33 | J/mol×K | 546.68 | Joback Calculated Property |
| Cp,gas | 355.00 | J/mol×K | 578.52 | Joback Calculated Property |
| Cp,gas | 366.09 | J/mol×K | 610.36 | Joback Calculated Property |
| Cp,gas | 376.60 | J/mol×K | 642.19 | Joback Calculated Property |
| Cp,gas | 386.55 | J/mol×K | 674.03 | Joback Calculated Property |
| Cp,gas | 395.94 | J/mol×K | 705.87 | Joback Calculated Property |
| η | [0.0002118; 0.0093684] | Pa×s | [252.09; 514.84] |
|
| η | 0.0093684 | Pa×s | 252.09 | Joback Calculated Property |
| η | 0.0031219 | Pa×s | 295.88 | Joback Calculated Property |
| η | 0.0013811 | Pa×s | 339.67 | Joback Calculated Property |
| η | 0.0007361 | Pa×s | 383.47 | Joback Calculated Property |
| η | 0.0004463 | Pa×s | 427.26 | Joback Calculated Property |
| η | 0.0002970 | Pa×s | 471.05 | Joback Calculated Property |
| η | 0.0002118 | Pa×s | 514.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-Dichloropropyl isopentanoate.
Sources
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