- InChI
- InChI=1S/C27H44O4/c1-4-7-8-9-10-11-12-13-14-18-22-30-25(28)27(5-2,6-3)26(29)31-23-21-24-19-16-15-17-20-24/h15-17,19-20H,4-14,18,21-23H2,1-3H3
- InChI Key
- UJSGOURYJZEQEP-UHFFFAOYSA-N
- Formula
- C27H44O4
- SMILES
-
CCCCCCCCCCCCOC(=O)C(CC)(CC)C(=
O)OCCc1ccccc1 - Molecular Weight1
- 432.64
- 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° | -176.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -862.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.99 | kJ/mol | Joback Calculated Property |
| log10WS | -7.71 | Crippen Calculated Property | |
| logPoct/wat | 7.043 | Crippen Calculated Property | |
| McVol | 382.410 | ml/mol | McGowan Calculated Property |
| Pc | 881.57 | kPa | Joback Calculated Property |
| Inp | [2847.00; 2847.00] |
|
|
| Inp | 2847.00 | NIST | |
| Inp | 2847.00 | NIST | |
| Tboil | 993.19 | K | Joback Calculated Property |
| Tc | 1216.27 | K | Joback Calculated Property |
| Tfus | 567.21 | K | Joback Calculated Property |
| Vc | 1.476 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1306.86; 1394.60] | J/mol×K | [993.19; 1216.27] |
|
| Cp,gas | 1306.86 | J/mol×K | 993.19 | Joback Calculated Property |
| Cp,gas | 1324.82 | J/mol×K | 1030.37 | Joback Calculated Property |
| Cp,gas | 1341.33 | J/mol×K | 1067.55 | Joback Calculated Property |
| Cp,gas | 1356.47 | J/mol×K | 1104.73 | Joback Calculated Property |
| Cp,gas | 1370.34 | J/mol×K | 1141.91 | Joback Calculated Property |
| Cp,gas | 1383.02 | J/mol×K | 1179.09 | Joback Calculated Property |
| Cp,gas | 1394.60 | J/mol×K | 1216.27 | Joback Calculated Property |
| η | [0.0000144; 0.0002676] | Pa×s | [567.21; 993.19] |
|
| η | 0.0002676 | Pa×s | 567.21 | Joback Calculated Property |
| η | 0.0001254 | Pa×s | 638.21 | Joback Calculated Property |
| η | 0.0000684 | Pa×s | 709.20 | Joback Calculated Property |
| η | 0.0000417 | Pa×s | 780.20 | Joback Calculated Property |
| η | 0.0000276 | Pa×s | 851.20 | Joback Calculated Property |
| η | 0.0000194 | Pa×s | 922.19 | Joback Calculated Property |
| η | 0.0000144 | Pa×s | 993.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, dodecyl phenethyl ester.
Sources
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