- InChI
- InChI=1S/C29H56O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-32-27(30)23-20-21-24-28(31)33-26(2)29(3,4)5/h26H,6-25H2,1-5H3
- InChI Key
- HYWMYUJGYVABSU-UHFFFAOYSA-N
- Formula
- C29H56O4
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)CCCCC(=
O)OC(C)C(C)(C)C - Molecular Weight1
- 468.75
- 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° | -274.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1145.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 65.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.78 | kJ/mol | Joback Calculated Property |
| log10WS | -9.56 | Crippen Calculated Property | |
| logPoct/wat | 8.939 | Crippen Calculated Property | |
| McVol | 434.350 | ml/mol | McGowan Calculated Property |
| Pc | 663.23 | kPa | Joback Calculated Property |
| Inp | [3107.00; 3107.00] |
|
|
| Inp | 3107.00 | NIST | |
| Inp | 3107.00 | NIST | |
| Tboil | 1011.83 | K | Joback Calculated Property |
| Tc | 1253.72 | K | Joback Calculated Property |
| Tfus | 548.33 | K | Joback Calculated Property |
| Vc | 1.690 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1539.55; 1648.87] | J/mol×K | [1011.83; 1253.72] |
|
| Cp,gas | 1539.55 | J/mol×K | 1011.83 | Joback Calculated Property |
| Cp,gas | 1562.22 | J/mol×K | 1052.14 | Joback Calculated Property |
| Cp,gas | 1582.97 | J/mol×K | 1092.46 | Joback Calculated Property |
| Cp,gas | 1601.90 | J/mol×K | 1132.77 | Joback Calculated Property |
| Cp,gas | 1619.12 | J/mol×K | 1173.09 | Joback Calculated Property |
| Cp,gas | 1634.74 | J/mol×K | 1213.40 | Joback Calculated Property |
| Cp,gas | 1648.87 | J/mol×K | 1253.72 | Joback Calculated Property |
| η | [0.0000092; 0.0002725] | Pa×s | [548.33; 1011.83] |
|
| η | 0.0002725 | Pa×s | 548.33 | Joback Calculated Property |
| η | 0.0001093 | Pa×s | 625.58 | Joback Calculated Property |
| η | 0.0000536 | Pa×s | 702.83 | Joback Calculated Property |
| η | 0.0000303 | Pa×s | 780.08 | Joback Calculated Property |
| η | 0.0000189 | Pa×s | 857.33 | Joback Calculated Property |
| η | 0.0000128 | Pa×s | 934.58 | Joback Calculated Property |
| η | 0.0000092 | Pa×s | 1011.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, 3,3-dimethylbut-2-yl heptadecyl ester.
Sources
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