- 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).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- 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).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -237.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -515.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.78 | kJ/mol | Joback Calculated Property |
| log10WS | -2.63 | Crippen Calculated Property | |
| logPoct/wat | 2.812 | Crippen Calculated Property | |
| McVol | 169.590 | ml/mol | McGowan Calculated Property |
| Pc | 2280.59 | kPa | Joback Calculated Property |
| Inp | 1378.00 | NIST | |
| Tboil | 555.59 | K | Joback Calculated Property |
| Tc | 746.91 | K | Joback Calculated Property |
| Tfus | 293.19 | K | Joback Calculated Property |
| Vc | 0.649 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [380.69; 448.92] | J/mol×K | [555.59; 746.91] | 
|
| Cp,gas | 380.69 | J/mol×K | 555.59 | Joback Calculated Property |
| Cp,gas | 393.54 | J/mol×K | 587.48 | Joback Calculated Property |
| Cp,gas | 405.78 | J/mol×K | 619.36 | Joback Calculated Property |
| Cp,gas | 417.43 | J/mol×K | 651.25 | Joback Calculated Property |
| Cp,gas | 428.50 | J/mol×K | 683.14 | Joback Calculated Property |
| Cp,gas | 438.99 | J/mol×K | 715.02 | Joback Calculated Property |
| Cp,gas | 448.92 | J/mol×K | 746.91 | Joback Calculated Property |
| η | [0.0002033; 0.0046613] | Pa×s | [293.19; 555.59] |
|
| η | 0.0046613 | Pa×s | 293.19 | Joback Calculated Property |
| η | 0.0019708 | Pa×s | 336.92 | Joback Calculated Property |
| η | 0.0010155 | Pa×s | 380.66 | Joback Calculated Property |
| η | 0.0005999 | Pa×s | 424.39 | Joback Calculated Property |
| η | 0.0003910 | Pa×s | 468.12 | Joback Calculated Property |
| η | 0.0002742 | Pa×s | 511.86 | Joback Calculated Property |
| η | 0.0002033 | Pa×s | 555.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-Dichloropropyl isohexanoate.
Sources
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