- InChI
- InChI=1S/C22H42O4/c1-8-12-13-14-16-18(7)25-20(23)22(10-3,11-4)21(24)26-19(15-9-2)17(5)6/h17-19H,8-16H2,1-7H3
- InChI Key
- SKLZZNNKCAWMIF-UHFFFAOYSA-N
- Formula
- C22H42O4
- SMILES
-
CCCCCCC(C)OC(=O)C(CC)(CC)C(=O)
OC(CCC)C(C)C - Molecular Weight1
- 370.57
- 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° | -337.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1011.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.42 | kJ/mol | Joback Calculated Property |
| log10WS | -6.50 | Crippen Calculated Property | |
| logPoct/wat | 6.063 | Crippen Calculated Property | |
| McVol | 335.720 | ml/mol | McGowan Calculated Property |
| Pc | 979.62 | kPa | Joback Calculated Property |
| Inp | 2046.00 | NIST | |
| Tboil | 850.79 | K | Joback Calculated Property |
| Tc | 1044.58 | K | Joback Calculated Property |
| Tfus | 439.44 | K | Joback Calculated Property |
| Vc | 1.286 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1093.94; 1191.28] | J/mol×K | [850.79; 1044.58] | 
|
| Cp,gas | 1093.94 | J/mol×K | 850.79 | Joback Calculated Property |
| Cp,gas | 1113.07 | J/mol×K | 883.09 | Joback Calculated Property |
| Cp,gas | 1130.99 | J/mol×K | 915.39 | Joback Calculated Property |
| Cp,gas | 1147.73 | J/mol×K | 947.68 | Joback Calculated Property |
| Cp,gas | 1163.33 | J/mol×K | 979.98 | Joback Calculated Property |
| Cp,gas | 1177.84 | J/mol×K | 1012.28 | Joback Calculated Property |
| Cp,gas | 1191.28 | J/mol×K | 1044.58 | Joback Calculated Property |
| η | [0.0000241; 0.0010996] | Pa×s | [439.44; 850.79] |
|
| η | 0.0010996 | Pa×s | 439.44 | Joback Calculated Property |
| η | 0.0003785 | Pa×s | 508.00 | Joback Calculated Property |
| η | 0.0001679 | Pa×s | 576.56 | Joback Calculated Property |
| η | 0.0000885 | Pa×s | 645.12 | Joback Calculated Property |
| η | 0.0000528 | Pa×s | 713.67 | Joback Calculated Property |
| η | 0.0000345 | Pa×s | 782.23 | Joback Calculated Property |
| η | 0.0000241 | Pa×s | 850.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 2-methylhex-3-yl 2-octyl ester.
Sources
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