- InChI
- InChI=1S/C28H52O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-31-27(29)25-20-17-18-21-26(25)28(30)32-23-24(2)3/h24-26H,4-23H2,1-3H3
- InChI Key
- DFQCQFIMHICGRB-UHFFFAOYSA-N
- Formula
- C28H52O4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)C1CCCCC1
C(=O)OCC(C)C - Molecular Weight1
- 452.71
- 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° | -268.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1082.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 63.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.97 | kJ/mol | Joback Calculated Property |
| log10WS | -8.44 | Crippen Calculated Property | |
| logPoct/wat | 8.017 | Crippen Calculated Property | |
| McVol | 409.400 | ml/mol | McGowan Calculated Property |
| Pc | 757.23 | kPa | Joback Calculated Property |
| Inp | [3130.00; 3130.00] |
|
|
| Inp | 3130.00 | NIST | |
| Inp | 3130.00 | NIST | |
| Tboil | 1007.06 | K | Joback Calculated Property |
| Tc | 1237.11 | K | Joback Calculated Property |
| Tfus | 537.78 | K | Joback Calculated Property |
| Vc | 1.577 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1475.18; 1567.14] | J/mol×K | [1007.06; 1237.11] |
|
| Cp,gas | 1475.18 | J/mol×K | 1007.06 | Joback Calculated Property |
| Cp,gas | 1495.60 | J/mol×K | 1045.40 | Joback Calculated Property |
| Cp,gas | 1513.90 | J/mol×K | 1083.74 | Joback Calculated Property |
| Cp,gas | 1530.14 | J/mol×K | 1122.09 | Joback Calculated Property |
| Cp,gas | 1544.39 | J/mol×K | 1160.43 | Joback Calculated Property |
| Cp,gas | 1556.70 | J/mol×K | 1198.77 | Joback Calculated Property |
| Cp,gas | 1567.14 | J/mol×K | 1237.11 | Joback Calculated Property |
| η | [0.0000198; 0.0004472] | Pa×s | [537.78; 1007.06] |
|
| η | 0.0004472 | Pa×s | 537.78 | Joback Calculated Property |
| η | 0.0001912 | Pa×s | 615.99 | Joback Calculated Property |
| η | 0.0000990 | Pa×s | 694.21 | Joback Calculated Property |
| η | 0.0000586 | Pa×s | 772.42 | Joback Calculated Property |
| η | 0.0000382 | Pa×s | 850.63 | Joback Calculated Property |
| η | 0.0000267 | Pa×s | 928.85 | Joback Calculated Property |
| η | 0.0000198 | Pa×s | 1007.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, hexadecyl isobutyl ester.
Sources
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