- InChI
- InChI=1S/C9H16Cl2O2/c1-7(2)4-5-8(12)13-9(3,11)6-10/h7H,4-6H2,1-3H3
- InChI Key
- AQIXRRIYUDNUTN-UHFFFAOYSA-N
- Formula
- C9H16Cl2O2
- SMILES
- CC(C)CCC(=O)OC(C)(Cl)CCl
- Molecular Weight1
- 227.13
- 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° | -232.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -519.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.87 | kJ/mol | Joback Calculated Property |
| log10WS | -3.12 | Crippen Calculated Property | |
| logPoct/wat | 3.160 | Crippen Calculated Property | |
| McVol | 169.590 | ml/mol | McGowan Calculated Property |
| Pc | 2304.74 | kPa | Joback Calculated Property |
| Inp | 1356.00 | NIST | |
| Tboil | 552.80 | K | Joback Calculated Property |
| Tc | 751.28 | K | Joback Calculated Property |
| Tfus | 310.61 | K | Joback Calculated Property |
| Vc | 0.644 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [383.74; 453.08] | J/mol×K | [552.80; 751.28] | 
|
| Cp,gas | 383.74 | J/mol×K | 552.80 | Joback Calculated Property |
| Cp,gas | 397.06 | J/mol×K | 585.88 | Joback Calculated Property |
| Cp,gas | 409.64 | J/mol×K | 618.96 | Joback Calculated Property |
| Cp,gas | 421.51 | J/mol×K | 652.04 | Joback Calculated Property |
| Cp,gas | 432.68 | J/mol×K | 685.12 | Joback Calculated Property |
| Cp,gas | 443.20 | J/mol×K | 718.20 | Joback Calculated Property |
| Cp,gas | 453.08 | J/mol×K | 751.28 | Joback Calculated Property |
| η | [0.0002002; 0.0041371] | Pa×s | [310.61; 552.80] |
|
| η | 0.0041371 | Pa×s | 310.61 | Joback Calculated Property |
| η | 0.0018682 | Pa×s | 350.98 | Joback Calculated Property |
| η | 0.0009940 | Pa×s | 391.34 | Joback Calculated Property |
| η | 0.0005951 | Pa×s | 431.70 | Joback Calculated Property |
| η | 0.0003889 | Pa×s | 472.07 | Joback Calculated Property |
| η | 0.0002718 | Pa×s | 512.43 | Joback Calculated Property |
| η | 0.0002002 | Pa×s | 552.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Dichloroisopropyl isohexanoate.
Sources
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