- InChI
- InChI=1S/C26H50O4/c1-6-7-8-9-10-11-12-13-14-15-16-19-22-29-24(27)20-17-18-21-25(28)30-23(2)26(3,4)5/h23H,6-22H2,1-5H3
- InChI Key
- JXKBEMRDMCWFKY-UHFFFAOYSA-N
- Formula
- C26H50O4
- SMILES
-
CCCCCCCCCCCCCCOC(=O)CCCCC(=O)O
C(C)C(C)(C)C - Molecular Weight1
- 426.67
- 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° | -299.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1083.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.10 | kJ/mol | Joback Calculated Property |
| log10WS | -8.30 | Crippen Calculated Property | |
| logPoct/wat | 7.769 | Crippen Calculated Property | |
| McVol | 392.080 | ml/mol | McGowan Calculated Property |
| Pc | 773.75 | kPa | Joback Calculated Property |
| Inp | [2793.00; 2793.00] |
|
|
| Inp | 2793.00 | NIST | |
| Inp | 2793.00 | NIST | |
| Tboil | 943.19 | K | Joback Calculated Property |
| Tc | 1157.23 | K | Joback Calculated Property |
| Tfus | 514.52 | K | Joback Calculated Property |
| Vc | 1.522 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1345.34; 1448.69] | J/mol×K | [943.19; 1157.23] |
|
| Cp,gas | 1345.34 | J/mol×K | 943.19 | Joback Calculated Property |
| Cp,gas | 1366.13 | J/mol×K | 978.86 | Joback Calculated Property |
| Cp,gas | 1385.41 | J/mol×K | 1014.54 | Joback Calculated Property |
| Cp,gas | 1403.24 | J/mol×K | 1050.21 | Joback Calculated Property |
| Cp,gas | 1419.69 | J/mol×K | 1085.88 | Joback Calculated Property |
| Cp,gas | 1434.82 | J/mol×K | 1121.56 | Joback Calculated Property |
| Cp,gas | 1448.69 | J/mol×K | 1157.23 | Joback Calculated Property |
| η | [0.0000151; 0.0004231] | Pa×s | [514.52; 943.19] |
|
| η | 0.0004231 | Pa×s | 514.52 | Joback Calculated Property |
| η | 0.0001730 | Pa×s | 585.97 | Joback Calculated Property |
| η | 0.0000859 | Pa×s | 657.41 | Joback Calculated Property |
| η | 0.0000490 | Pa×s | 728.86 | Joback Calculated Property |
| η | 0.0000308 | Pa×s | 800.30 | Joback Calculated Property |
| η | 0.0000210 | Pa×s | 871.75 | Joback Calculated Property |
| η | 0.0000151 | Pa×s | 943.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, 3,3-dimethylbut-2-yl tetradecyl ester.
Sources
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