- InChI
- InChI=1S/C27H36O4/c1-4-7-8-9-10-14-21-30-25(28)27(5-2,6-3)26(29)31-24-19-17-23(18-20-24)22-15-12-11-13-16-22/h11-13,15-20H,4-10,14,21H2,1-3H3
- InChI Key
- ZKKRXORKZIHHGX-UHFFFAOYSA-N
- Formula
- C27H36O4
- SMILES
-
CCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc
1ccc(-c2ccccc2)cc1 - Molecular Weight1
- 424.57
- 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° | -73.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -637.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.93 | kJ/mol | Joback Calculated Property |
| log10WS | -8.45 | Crippen Calculated Property | |
| logPoct/wat | 6.969 | Crippen Calculated Property | |
| McVol | 358.650 | ml/mol | McGowan Calculated Property |
| Pc | 1073.57 | kPa | Joback Calculated Property |
| Inp | 3115.00 | NIST | |
| Tboil | 1024.85 | K | Joback Calculated Property |
| Tc | 1256.82 | K | Joback Calculated Property |
| Tfus | 606.15 | K | Joback Calculated Property |
| Vc | 1.369 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1199.09; 1270.33] | J/mol×K | [1024.85; 1256.82] | 
|
| Cp,gas | 1199.09 | J/mol×K | 1024.85 | Joback Calculated Property |
| Cp,gas | 1214.06 | J/mol×K | 1063.51 | Joback Calculated Property |
| Cp,gas | 1227.66 | J/mol×K | 1102.17 | Joback Calculated Property |
| Cp,gas | 1239.99 | J/mol×K | 1140.84 | Joback Calculated Property |
| Cp,gas | 1251.15 | J/mol×K | 1179.50 | Joback Calculated Property |
| Cp,gas | 1261.23 | J/mol×K | 1218.16 | Joback Calculated Property |
| Cp,gas | 1270.33 | J/mol×K | 1256.82 | Joback Calculated Property |
| η | [0.0000152; 0.0002031] | Pa×s | [606.15; 1024.85] |
|
| η | 0.0002031 | Pa×s | 606.15 | Joback Calculated Property |
| η | 0.0001055 | Pa×s | 675.93 | Joback Calculated Property |
| η | 0.0000619 | Pa×s | 745.72 | Joback Calculated Property |
| η | 0.0000398 | Pa×s | 815.50 | Joback Calculated Property |
| η | 0.0000275 | Pa×s | 885.28 | Joback Calculated Property |
| η | 0.0000200 | Pa×s | 955.07 | Joback Calculated Property |
| η | 0.0000152 | Pa×s | 1024.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 4-biphenyl octyl ester.
Sources
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