- InChI
- InChI=1S/C31H52O4/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-25-34-29(32)31(7-2,8-3)30(33)35-28-24-22-23-26(4)27(28)5/h22-24H,6-21,25H2,1-5H3
- InChI Key
- QGESANMHSUGMMI-UHFFFAOYSA-N
- Formula
- C31H52O4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)C(CC)(CC
)C(=O)Oc1cccc(C)c1C - Molecular Weight1
- 488.74
- 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° | -161.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -967.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 67.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.22 | kJ/mol | Joback Calculated Property |
| log10WS | -10.15 | Crippen Calculated Property | |
| logPoct/wat | 9.040 | Crippen Calculated Property | |
| McVol | 438.770 | ml/mol | McGowan Calculated Property |
| Pc | 699.13 | kPa | Joback Calculated Property |
| Inp | 3316.00 | NIST | |
| Tboil | 1094.67 | K | Joback Calculated Property |
| Tc | 1354.56 | K | Joback Calculated Property |
| Tfus | 637.33 | K | Joback Calculated Property |
| Vc | 1.700 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1560.25; 1649.27] | J/mol×K | [1094.67; 1354.56] | 
|
| Cp,gas | 1560.25 | J/mol×K | 1094.67 | Joback Calculated Property |
| Cp,gas | 1579.55 | J/mol×K | 1137.98 | Joback Calculated Property |
| Cp,gas | 1596.89 | J/mol×K | 1181.30 | Joback Calculated Property |
| Cp,gas | 1612.40 | J/mol×K | 1224.61 | Joback Calculated Property |
| Cp,gas | 1626.20 | J/mol×K | 1267.93 | Joback Calculated Property |
| Cp,gas | 1638.45 | J/mol×K | 1311.24 | Joback Calculated Property |
| Cp,gas | 1649.27 | J/mol×K | 1354.56 | Joback Calculated Property |
| η | [0.0000079; 0.0001196] | Pa×s | [637.33; 1094.67] |
|
| η | 0.0001196 | Pa×s | 637.33 | Joback Calculated Property |
| η | 0.0000598 | Pa×s | 713.55 | Joback Calculated Property |
| η | 0.0000342 | Pa×s | 789.78 | Joback Calculated Property |
| η | 0.0000215 | Pa×s | 866.00 | Joback Calculated Property |
| η | 0.0000146 | Pa×s | 942.22 | Joback Calculated Property |
| η | 0.0000105 | Pa×s | 1018.45 | Joback Calculated Property |
| η | 0.0000079 | Pa×s | 1094.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 2,3-dimethylphenyl hexadecyl ester.
Sources
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