- InChI
- InChI=1S/C21H40O4/c1-8-11-12-13-14-24-18(22)21(9-2,10-3)19(23)25-16-17(4)15-20(5,6)7/h17H,8-16H2,1-7H3
- InChI Key
- HERKBCPQYFCDHL-UHFFFAOYSA-N
- Formula
- C21H40O4
- SMILES
-
CCCCCCOC(=O)C(CC)(CC)C(=O)OCC(
C)CC(C)(C)C - Molecular Weight1
- 356.54
- 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° | -338.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -989.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.67 | kJ/mol | Joback Calculated Property |
| log10WS | -5.61 | Crippen Calculated Property | |
| logPoct/wat | 5.532 | Crippen Calculated Property | |
| McVol | 321.630 | ml/mol | McGowan Calculated Property |
| Pc | 1043.27 | kPa | Joback Calculated Property |
| Inp | 2012.00 | NIST | |
| Tboil | 825.56 | K | Joback Calculated Property |
| Tc | 1017.59 | K | Joback Calculated Property |
| Tfus | 460.59 | K | Joback Calculated Property |
| Vc | 1.232 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1032.28; 1128.59] | J/mol×K | [825.56; 1017.59] | 
|
| Cp,gas | 1032.28 | J/mol×K | 825.56 | Joback Calculated Property |
| Cp,gas | 1050.99 | J/mol×K | 857.57 | Joback Calculated Property |
| Cp,gas | 1068.57 | J/mol×K | 889.57 | Joback Calculated Property |
| Cp,gas | 1085.07 | J/mol×K | 921.58 | Joback Calculated Property |
| Cp,gas | 1100.54 | J/mol×K | 953.58 | Joback Calculated Property |
| Cp,gas | 1115.03 | J/mol×K | 985.59 | Joback Calculated Property |
| Cp,gas | 1128.59 | J/mol×K | 1017.59 | Joback Calculated Property |
| η | [0.0000268; 0.0008026] | Pa×s | [460.59; 825.56] |
|
| η | 0.0008026 | Pa×s | 460.59 | Joback Calculated Property |
| η | 0.0003271 | Pa×s | 521.42 | Joback Calculated Property |
| η | 0.0001609 | Pa×s | 582.25 | Joback Calculated Property |
| η | 0.0000905 | Pa×s | 643.08 | Joback Calculated Property |
| η | 0.0000562 | Pa×s | 703.90 | Joback Calculated Property |
| η | 0.0000376 | Pa×s | 764.73 | Joback Calculated Property |
| η | 0.0000268 | Pa×s | 825.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, hexyl 2,4,4-trimethylpentyl ester.
Sources
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