- InChI
- InChI=1S/C15H27ClO4/c1-13(2)12-20-15(18)11-14(17)19-10-8-6-4-3-5-7-9-16/h13H,3-12H2,1-2H3
- InChI Key
- HSJUCFNMXKNWJC-UHFFFAOYSA-N
- Formula
- C15H27ClO4
- SMILES
- CC(C)COC(=O)CC(=O)OCCCCCCCCCl
- Molecular Weight1
- 306.82
- 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 | -1023.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.97 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.698 | Crippen Calculated Property | |
| McVol | 249.330 | ml/mol | McGowan Calculated Property |
| Pc | 1485.00 | kPa | Joback Calculated Property |
| Inp | 2079.00 | NIST | |
| Tboil | 585.78 | K | Relay (1.0) Calculated Property |
| Tc | 772.46 | K | Relay (1.0) Calculated Property |
| Tfus | 238.92 | 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 | [708.70; 789.31] | J/mol×K | [732.17; 914.96] | 
|
| Cp,gas | 708.70 | J/mol×K | 732.17 | Joback Calculated Property |
| Cp,gas | 724.18 | J/mol×K | 762.64 | Joback Calculated Property |
| Cp,gas | 738.83 | J/mol×K | 793.10 | Joback Calculated Property |
| Cp,gas | 752.66 | J/mol×K | 823.57 | Joback Calculated Property |
| Cp,gas | 765.68 | J/mol×K | 854.03 | Joback Calculated Property |
| Cp,gas | 777.89 | J/mol×K | 884.50 | Joback Calculated Property |
| Cp,gas | 789.31 | J/mol×K | 914.96 | Joback Calculated Property |
| η | [0.0000863; 0.0013342] | Pa×s | [418.05; 732.17] |
|
| η | 0.0013342 | Pa×s | 418.05 | Joback Calculated Property |
| η | 0.0006557 | Pa×s | 470.40 | Joback Calculated Property |
| η | 0.0003715 | Pa×s | 522.76 | Joback Calculated Property |
| η | 0.0002334 | Pa×s | 575.11 | Joback Calculated Property |
| η | 0.0001585 | Pa×s | 627.46 | Joback Calculated Property |
| η | 0.0001142 | Pa×s | 679.82 | Joback Calculated Property |
| η | 0.0000863 | Pa×s | 732.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Malonic acid, 8-chlorooctyl isobutyl ester.
Sources
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