- 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° | 44.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.98 | 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 | 1395.41 | kPa | Joback Calculated Property |
| Inp | 2079.00 | NIST | |
| Tboil | 585.78 | K | Relay (1.0) Calculated Property |
| Tc | 776.60 | K | Relay (1.0) Calculated Property |
| Tfus | 238.36 | 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 | [695.67; 777.88] | J/mol×K | [696.23; 874.02] | 
|
| Cp,gas | 695.67 | J/mol×K | 696.23 | Joback Calculated Property |
| Cp,gas | 711.50 | J/mol×K | 725.86 | Joback Calculated Property |
| Cp,gas | 726.47 | J/mol×K | 755.49 | Joback Calculated Property |
| Cp,gas | 740.58 | J/mol×K | 785.12 | Joback Calculated Property |
| Cp,gas | 753.85 | J/mol×K | 814.76 | Joback Calculated Property |
| Cp,gas | 766.28 | J/mol×K | 844.39 | Joback Calculated Property |
| Cp,gas | 777.88 | J/mol×K | 874.02 | Joback Calculated Property |
| η | [0.0000699; 0.0027473] | Pa×s | [358.39; 696.23] |
|
| η | 0.0027473 | Pa×s | 358.39 | Joback Calculated Property |
| η | 0.0009835 | Pa×s | 414.70 | Joback Calculated Property |
| η | 0.0004501 | Pa×s | 471.00 | Joback Calculated Property |
| η | 0.0002434 | Pa×s | 527.31 | Joback Calculated Property |
| η | 0.0001482 | Pa×s | 583.62 | Joback Calculated Property |
| η | 0.0000985 | Pa×s | 639.92 | Joback Calculated Property |
| η | 0.0000699 | Pa×s | 696.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Malonic acid, 8-chlorooctyl isobutyl ester.
Sources
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