- InChI
- InChI=1S/C21H39ClO4/c1-4-7-8-14-17-25-19(23)21(5-2,6-3)20(24)26-18-15-12-10-9-11-13-16-22/h4-18H2,1-3H3
- InChI Key
- BJGQOOJGGDOVGA-UHFFFAOYSA-N
- Formula
- C21H39ClO4
- SMILES
-
CCCCCCOC(=O)C(CC)(CC)C(=O)OCCC
CCCCCCl - Molecular Weight1
- 390.99
- 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° | -350.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -990.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.74 | kJ/mol | Joback Calculated Property |
| log10WS | -6.25 | Crippen Calculated Property | |
| logPoct/wat | 6.039 | Crippen Calculated Property | |
| McVol | 333.870 | ml/mol | McGowan Calculated Property |
| Pc | 1001.44 | kPa | Joback Calculated Property |
| Inp | 2479.00 | NIST | |
| Tboil | 866.66 | K | Joback Calculated Property |
| Tc | 1062.20 | K | Joback Calculated Property |
| Tfus | 503.09 | K | Joback Calculated Property |
| Vc | 1.298 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1062.33; 1151.97] | J/mol×K | [866.66; 1062.20] | 
|
| Cp,gas | 1062.33 | J/mol×K | 866.66 | Joback Calculated Property |
| Cp,gas | 1079.97 | J/mol×K | 899.25 | Joback Calculated Property |
| Cp,gas | 1096.48 | J/mol×K | 931.84 | Joback Calculated Property |
| Cp,gas | 1111.89 | J/mol×K | 964.43 | Joback Calculated Property |
| Cp,gas | 1126.25 | J/mol×K | 997.02 | Joback Calculated Property |
| Cp,gas | 1139.60 | J/mol×K | 1029.61 | Joback Calculated Property |
| Cp,gas | 1151.97 | J/mol×K | 1062.20 | Joback Calculated Property |
| η | [0.0000308; 0.0005399] | Pa×s | [503.09; 866.66] |
|
| η | 0.0005399 | Pa×s | 503.09 | Joback Calculated Property |
| η | 0.0002591 | Pa×s | 563.69 | Joback Calculated Property |
| η | 0.0001434 | Pa×s | 624.28 | Joback Calculated Property |
| η | 0.0000881 | Pa×s | 684.88 | Joback Calculated Property |
| η | 0.0000586 | Pa×s | 745.47 | Joback Calculated Property |
| η | 0.0000414 | Pa×s | 806.07 | Joback Calculated Property |
| η | 0.0000308 | Pa×s | 866.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 8-chlorooctyl hexyl ester.
Sources
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