- InChI
- InChI=1S/C9H16Cl2O2/c1-7(2)3-4-9(12)13-6-8(11)5-10/h7-8H,3-6H2,1-2H3
- InChI Key
- QKQSJQLWPHJUEY-UHFFFAOYSA-N
- Formula
- C9H16Cl2O2
- SMILES
- CC(C)CCC(=O)OCC(Cl)CCl
- Molecular Weight1
- 227.13
- Other Names
-
- 1-Propanol, 2,3-dichloro, 4-methylpentanoate
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -626.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.62 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.812 | Crippen Calculated Property | |
| McVol | 169.590 | ml/mol | McGowan Calculated Property |
| Pc | 2193.84 | kPa | Joback Calculated Property |
| Inp | 1378.00 | NIST | |
| Tboil | 510.86 | K | Relay (1.0) Calculated Property |
| Tc | 710.84 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, 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 | [376.24; 445.67] | J/mol×K | [537.72; 726.46] | 
|
| Cp,gas | 376.24 | J/mol×K | 537.72 | Joback Calculated Property |
| Cp,gas | 389.38 | J/mol×K | 569.18 | Joback Calculated Property |
| Cp,gas | 401.87 | J/mol×K | 600.63 | Joback Calculated Property |
| Cp,gas | 413.74 | J/mol×K | 632.09 | Joback Calculated Property |
| Cp,gas | 424.99 | J/mol×K | 663.55 | Joback Calculated Property |
| Cp,gas | 435.63 | J/mol×K | 695.01 | Joback Calculated Property |
| Cp,gas | 445.67 | J/mol×K | 726.46 | Joback Calculated Property |
| η | [0.0001889; 0.0085155] | Pa×s | [263.36; 537.72] |
|
| η | 0.0085155 | Pa×s | 263.36 | Joback Calculated Property |
| η | 0.0028223 | Pa×s | 309.09 | Joback Calculated Property |
| η | 0.0012434 | Pa×s | 354.81 | Joback Calculated Property |
| η | 0.0006606 | Pa×s | 400.54 | Joback Calculated Property |
| η | 0.0003995 | Pa×s | 446.27 | Joback Calculated Property |
| η | 0.0002653 | Pa×s | 491.99 | Joback Calculated Property |
| η | 0.0001889 | Pa×s | 537.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-Dichloropropyl isohexanoate.
Sources
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