- InChI
- InChI=1S/C28H46O5/c1-6-9-10-11-12-13-14-15-16-19-22-31-26(29)28(7-2,8-3)27(30)33-25-21-18-17-20-24(25)32-23(4)5/h17-18,20-21,23H,6-16,19,22H2,1-5H3
- InChI Key
- AILOXQJJLDPFGT-UHFFFAOYSA-N
- Formula
- C28H46O5
- SMILES
-
CCCCCCCCCCCCOC(=O)C(CC)(CC)C(=
O)Oc1ccccc1OC(C)C - Molecular Weight1
- 462.66
- 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° | -284.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1032.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.90 | kJ/mol | Joback Calculated Property |
| log10WS | -8.59 | Crippen Calculated Property | |
| logPoct/wat | 7.650 | Crippen Calculated Property | |
| McVol | 402.370 | ml/mol | McGowan Calculated Property |
| Pc | 821.95 | kPa | Joback Calculated Property |
| Inp | 2944.00 | NIST | |
| Tboil | 1043.03 | K | Joback Calculated Property |
| Tc | 1280.08 | K | Joback Calculated Property |
| Tfus | 598.23 | K | Joback Calculated Property |
| Vc | 1.544 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1398.64; 1475.59] | J/mol×K | [1043.03; 1280.08] | 
|
| Cp,gas | 1398.64 | J/mol×K | 1043.03 | Joback Calculated Property |
| Cp,gas | 1415.74 | J/mol×K | 1082.54 | Joback Calculated Property |
| Cp,gas | 1431.02 | J/mol×K | 1122.05 | Joback Calculated Property |
| Cp,gas | 1444.57 | J/mol×K | 1161.55 | Joback Calculated Property |
| Cp,gas | 1456.47 | J/mol×K | 1201.06 | Joback Calculated Property |
| Cp,gas | 1466.78 | J/mol×K | 1240.57 | Joback Calculated Property |
| Cp,gas | 1475.59 | J/mol×K | 1280.08 | Joback Calculated Property |
| η | [0.0000083; 0.0001510] | Pa×s | [598.23; 1043.03] |
|
| η | 0.0001510 | Pa×s | 598.23 | Joback Calculated Property |
| η | 0.0000714 | Pa×s | 672.36 | Joback Calculated Property |
| η | 0.0000392 | Pa×s | 746.50 | Joback Calculated Property |
| η | 0.0000239 | Pa×s | 820.63 | Joback Calculated Property |
| η | 0.0000159 | Pa×s | 894.76 | Joback Calculated Property |
| η | 0.0000112 | Pa×s | 968.90 | Joback Calculated Property |
| η | 0.0000083 | Pa×s | 1043.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, dodecyl 2-isopropoxyphenyl ester.
Sources
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