- InChI
- InChI=1S/C21H40O4/c1-5-9-11-13-14-16-18-25-20(23)21(7-3,8-4)19(22)24-17-15-12-10-6-2/h5-18H2,1-4H3
- InChI Key
- IZZNIXUHIZGHRF-UHFFFAOYSA-N
- Formula
- C21H40O4
- SMILES
-
CCCCCCCCOC(=O)C(CC)(CC)C(=O)OC
CCCCC - 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° | -339.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -975.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.36 | kJ/mol | Joback Calculated Property |
| log10WS | -6.10 | Crippen Calculated Property | |
| logPoct/wat | 5.820 | Crippen Calculated Property | |
| McVol | 321.630 | ml/mol | McGowan Calculated Property |
| Pc | 1025.31 | kPa | Joback Calculated Property |
| Inp | 2157.00 | NIST | |
| Tboil | 829.23 | K | Joback Calculated Property |
| Tc | 1017.76 | K | Joback Calculated Property |
| Tfus | 473.17 | K | Joback Calculated Property |
| Vc | 1.248 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1031.00; 1126.71] | J/mol×K | [829.23; 1017.76] | 
|
| Cp,gas | 1031.00 | J/mol×K | 829.23 | Joback Calculated Property |
| Cp,gas | 1049.60 | J/mol×K | 860.65 | Joback Calculated Property |
| Cp,gas | 1067.09 | J/mol×K | 892.07 | Joback Calculated Property |
| Cp,gas | 1083.51 | J/mol×K | 923.49 | Joback Calculated Property |
| Cp,gas | 1098.90 | J/mol×K | 954.91 | Joback Calculated Property |
| Cp,gas | 1113.29 | J/mol×K | 986.33 | Joback Calculated Property |
| Cp,gas | 1126.71 | J/mol×K | 1017.76 | Joback Calculated Property |
| η | [0.0000366; 0.0007084] | Pa×s | [473.17; 829.23] |
|
| η | 0.0007084 | Pa×s | 473.17 | Joback Calculated Property |
| η | 0.0003284 | Pa×s | 532.51 | Joback Calculated Property |
| η | 0.0001776 | Pa×s | 591.86 | Joback Calculated Property |
| η | 0.0001074 | Pa×s | 651.20 | Joback Calculated Property |
| η | 0.0000707 | Pa×s | 710.54 | Joback Calculated Property |
| η | 0.0000496 | Pa×s | 769.89 | Joback Calculated Property |
| η | 0.0000366 | Pa×s | 829.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, hexyl octyl ester.
Sources
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