- InChI
- InChI=1S/C27H52O4/c1-9-27(10-2,25(28)30-19-17-23(7)15-11-13-21(3)4)26(29)31-20-18-24(8)16-12-14-22(5)6/h21-24H,9-20H2,1-8H3
- InChI Key
- ZJMXNGWBWASFJE-UHFFFAOYSA-N
- Formula
- C27H52O4
- SMILES
-
CCC(CC)(C(=O)OCCC(C)CCCC(C)C)C
(=O)OCCC(C)CCCC(C)C - Molecular Weight1
- 440.70
- 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° | -298.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1120.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.16 | kJ/mol | Joback Calculated Property |
| log10WS | -7.64 | Crippen Calculated Property | |
| logPoct/wat | 7.584 | Crippen Calculated Property | |
| McVol | 406.170 | ml/mol | McGowan Calculated Property |
| Pc | 743.67 | kPa | Joback Calculated Property |
| Inp | 2510.00 | NIST | |
| Tboil | 964.75 | K | Joback Calculated Property |
| Tc | 1183.33 | K | Joback Calculated Property |
| Tfus | 480.79 | K | Joback Calculated Property |
| Vc | 1.560 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1410.69; 1513.18] | J/mol×K | [964.75; 1183.33] | 
|
| Cp,gas | 1410.69 | J/mol×K | 964.75 | Joback Calculated Property |
| Cp,gas | 1431.59 | J/mol×K | 1001.18 | Joback Calculated Property |
| Cp,gas | 1450.87 | J/mol×K | 1037.61 | Joback Calculated Property |
| Cp,gas | 1468.59 | J/mol×K | 1074.04 | Joback Calculated Property |
| Cp,gas | 1484.83 | J/mol×K | 1110.47 | Joback Calculated Property |
| Cp,gas | 1499.67 | J/mol×K | 1146.90 | Joback Calculated Property |
| Cp,gas | 1513.18 | J/mol×K | 1183.33 | Joback Calculated Property |
| η | [0.0000097; 0.0006173] | Pa×s | [480.79; 964.75] |
|
| η | 0.0006173 | Pa×s | 480.79 | Joback Calculated Property |
| η | 0.0001879 | Pa×s | 561.45 | Joback Calculated Property |
| η | 0.0000771 | Pa×s | 642.11 | Joback Calculated Property |
| η | 0.0000386 | Pa×s | 722.77 | Joback Calculated Property |
| η | 0.0000222 | Pa×s | 803.43 | Joback Calculated Property |
| η | 0.0000141 | Pa×s | 884.09 | Joback Calculated Property |
| η | 0.0000097 | Pa×s | 964.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, di(3,7-dimethyloctyl) ester.
Sources
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