- InChI
- InChI=1S/C27H52O4/c1-8-11-12-13-14-15-16-17-18-19-20-30-24(28)27(9-2,10-3)25(29)31-22-23(4)21-26(5,6)7/h23H,8-22H2,1-7H3
- InChI Key
- JHZBZSZBPGZVLX-UHFFFAOYSA-N
- Formula
- C27H52O4
- SMILES
-
CCCCCCCCCCCCOC(=O)C(CC)(CC)C(=
O)OCC(C)CC(C)(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° | -288.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1112.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.03 | kJ/mol | Joback Calculated Property |
| log10WS | -8.12 | Crippen Calculated Property | |
| logPoct/wat | 7.872 | Crippen Calculated Property | |
| McVol | 406.170 | ml/mol | McGowan Calculated Property |
| Pc | 741.64 | kPa | Joback Calculated Property |
| Inp | [2614.00; 2614.00] |
|
|
| Inp | 2614.00 | NIST | |
| Inp | 2614.00 | NIST | |
| Tboil | 962.84 | K | Joback Calculated Property |
| Tc | 1181.00 | K | Joback Calculated Property |
| Tfus | 528.21 | K | Joback Calculated Property |
| Vc | 1.567 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1409.34; 1515.24] | J/mol×K | [962.84; 1181.00] |
|
| Cp,gas | 1409.34 | J/mol×K | 962.84 | Joback Calculated Property |
| Cp,gas | 1430.35 | J/mol×K | 999.20 | Joback Calculated Property |
| Cp,gas | 1449.89 | J/mol×K | 1035.56 | Joback Calculated Property |
| Cp,gas | 1468.06 | J/mol×K | 1071.92 | Joback Calculated Property |
| Cp,gas | 1484.94 | J/mol×K | 1108.28 | Joback Calculated Property |
| Cp,gas | 1500.64 | J/mol×K | 1144.64 | Joback Calculated Property |
| Cp,gas | 1515.24 | J/mol×K | 1181.00 | Joback Calculated Property |
| η | [0.0000098; 0.0003272] | Pa×s | [528.21; 962.84] |
|
| η | 0.0003272 | Pa×s | 528.21 | Joback Calculated Property |
| η | 0.0001281 | Pa×s | 600.65 | Joback Calculated Property |
| η | 0.0000613 | Pa×s | 673.09 | Joback Calculated Property |
| η | 0.0000339 | Pa×s | 745.52 | Joback Calculated Property |
| η | 0.0000208 | Pa×s | 817.96 | Joback Calculated Property |
| η | 0.0000138 | Pa×s | 890.40 | Joback Calculated Property |
| η | 0.0000098 | Pa×s | 962.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, dodecyl 2,4,4-trimethylpentyl ester.
Sources
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