- InChI
- InChI=1S/C21H40O4/c1-9-21(10-2,19(22)24-17(7)13-11-15(3)4)20(23)25-18(8)14-12-16(5)6/h15-18H,9-14H2,1-8H3
- InChI Key
- NUYNZFWIBSLNPK-UHFFFAOYSA-N
- Formula
- C21H40O4
- SMILES
-
CCC(CC)(C(=O)OC(C)CCC(C)C)C(=O
)OC(C)CCC(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° | -348.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -996.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.80 | kJ/mol | Joback Calculated Property |
| log10WS | -5.84 | Crippen Calculated Property | |
| logPoct/wat | 5.529 | Crippen Calculated Property | |
| McVol | 321.630 | ml/mol | McGowan Calculated Property |
| Pc | 1046.65 | kPa | Joback Calculated Property |
| Inp | 1964.00 | NIST | |
| Tboil | 827.47 | K | Joback Calculated Property |
| Tc | 1019.97 | K | Joback Calculated Property |
| Tfus | 413.17 | K | Joback Calculated Property |
| Vc | 1.224 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1032.90; 1129.61] | J/mol×K | [827.47; 1019.97] | 
|
| Cp,gas | 1032.90 | J/mol×K | 827.47 | Joback Calculated Property |
| Cp,gas | 1051.87 | J/mol×K | 859.55 | Joback Calculated Property |
| Cp,gas | 1069.65 | J/mol×K | 891.64 | Joback Calculated Property |
| Cp,gas | 1086.28 | J/mol×K | 923.72 | Joback Calculated Property |
| Cp,gas | 1101.79 | J/mol×K | 955.80 | Joback Calculated Property |
| Cp,gas | 1116.22 | J/mol×K | 987.88 | Joback Calculated Property |
| Cp,gas | 1129.61 | J/mol×K | 1019.97 | Joback Calculated Property |
| η | [0.0000259; 0.0016281] | Pa×s | [413.17; 827.47] |
|
| η | 0.0016281 | Pa×s | 413.17 | Joback Calculated Property |
| η | 0.0004983 | Pa×s | 482.22 | Joback Calculated Property |
| η | 0.0002052 | Pa×s | 551.27 | Joback Calculated Property |
| η | 0.0001029 | Pa×s | 620.32 | Joback Calculated Property |
| η | 0.0000593 | Pa×s | 689.37 | Joback Calculated Property |
| η | 0.0000378 | Pa×s | 758.42 | Joback Calculated Property |
| η | 0.0000259 | Pa×s | 827.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, di(5-methylhex-2-yl) ester.
Sources
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