- InChI
- InChI=1S/C27H54O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-29-26(28)23-25(2)24-27(3,4)5/h25H,6-24H2,1-5H3
- InChI Key
- IRPUQPOQLCBARJ-UHFFFAOYSA-N
- Formula
- C27H54O2
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)CC(C)C
C(C)(C)C - Molecular Weight1
- 410.72
- 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° | -57.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -859.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.17 | kJ/mol | Joback Calculated Property |
| log10WS | -9.50 | Crippen Calculated Property | |
| logPoct/wat | 9.253 | Crippen Calculated Property | |
| McVol | 398.730 | ml/mol | McGowan Calculated Property |
| Pc | 716.07 | kPa | Joback Calculated Property |
| Inp | [2750.00; 2750.00] |
|
|
| Inp | 2750.00 | NIST | |
| Inp | 2750.00 | NIST | |
| Tboil | 889.78 | K | Joback Calculated Property |
| Tc | 1090.17 | K | Joback Calculated Property |
| Tfus | 453.63 | K | Joback Calculated Property |
| Vc | 1.554 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1350.73; 1470.13] | J/mol×K | [889.78; 1090.17] |
|
| Cp,gas | 1350.73 | J/mol×K | 889.78 | Joback Calculated Property |
| Cp,gas | 1373.80 | J/mol×K | 923.18 | Joback Calculated Property |
| Cp,gas | 1395.51 | J/mol×K | 956.58 | Joback Calculated Property |
| Cp,gas | 1415.92 | J/mol×K | 989.98 | Joback Calculated Property |
| Cp,gas | 1435.12 | J/mol×K | 1023.38 | Joback Calculated Property |
| Cp,gas | 1453.17 | J/mol×K | 1056.78 | Joback Calculated Property |
| Cp,gas | 1470.13 | J/mol×K | 1090.17 | Joback Calculated Property |
| η | [0.0000190; 0.0008352] | Pa×s | [453.63; 889.78] |
|
| η | 0.0008352 | Pa×s | 453.63 | Joback Calculated Property |
| η | 0.0002878 | Pa×s | 526.32 | Joback Calculated Property |
| η | 0.0001284 | Pa×s | 599.01 | Joback Calculated Property |
| η | 0.0000682 | Pa×s | 671.70 | Joback Calculated Property |
| η | 0.0000410 | Pa×s | 744.40 | Joback Calculated Property |
| η | 0.0000270 | Pa×s | 817.09 | Joback Calculated Property |
| η | 0.0000190 | Pa×s | 889.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 3,5,5-trimethyl-, octadecyl ester.
Sources
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