- InChI
- InChI=1S/C28H54O4/c1-8-11-12-13-14-15-16-17-18-19-20-21-31-25(29)28(9-2,10-3)26(30)32-23-24(4)22-27(5,6)7/h24H,8-23H2,1-7H3
- InChI Key
- PQCWMFLUCYBXFQ-UHFFFAOYSA-N
- Formula
- C28H54O4
- SMILES
-
CCCCCCCCCCCCCOC(=O)C(CC)(CC)C(
=O)OCC(C)CC(C)(C)C - Molecular Weight1
- 454.73
- 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° | -279.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1133.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.25 | kJ/mol | Joback Calculated Property |
| log10WS | -8.54 | Crippen Calculated Property | |
| logPoct/wat | 8.263 | Crippen Calculated Property | |
| McVol | 420.260 | ml/mol | McGowan Calculated Property |
| Pc | 704.33 | kPa | Joback Calculated Property |
| Inp | 2713.00 | NIST | |
| Tboil | 985.72 | K | Joback Calculated Property |
| Tc | 1211.79 | K | Joback Calculated Property |
| Tfus | 539.48 | K | Joback Calculated Property |
| Vc | 1.623 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1474.01; 1582.33] | J/mol×K | [985.72; 1211.79] | 
|
| Cp,gas | 1474.01 | J/mol×K | 985.72 | Joback Calculated Property |
| Cp,gas | 1495.61 | J/mol×K | 1023.40 | Joback Calculated Property |
| Cp,gas | 1515.64 | J/mol×K | 1061.08 | Joback Calculated Property |
| Cp,gas | 1534.22 | J/mol×K | 1098.75 | Joback Calculated Property |
| Cp,gas | 1551.46 | J/mol×K | 1136.43 | Joback Calculated Property |
| Cp,gas | 1567.46 | J/mol×K | 1174.11 | Joback Calculated Property |
| Cp,gas | 1582.33 | J/mol×K | 1211.79 | Joback Calculated Property |
| η | [0.0000082; 0.0002800] | Pa×s | [539.48; 985.72] |
|
| η | 0.0002800 | Pa×s | 539.48 | Joback Calculated Property |
| η | 0.0001090 | Pa×s | 613.85 | Joback Calculated Property |
| η | 0.0000520 | Pa×s | 688.23 | Joback Calculated Property |
| η | 0.0000287 | Pa×s | 762.60 | Joback Calculated Property |
| η | 0.0000176 | Pa×s | 836.97 | Joback Calculated Property |
| η | 0.0000117 | Pa×s | 911.35 | Joback Calculated Property |
| η | 0.0000082 | Pa×s | 985.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, tridecyl 2,4,4-trimethylpentyl ester.
Sources
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