- InChI
- InChI=1S/C26H52O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28-25(27)22-24(2)23-26(3,4)5/h24H,6-23H2,1-5H3
- InChI Key
- QBUCOQMZPGBRSL-UHFFFAOYSA-N
- Formula
- C26H52O2
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)CC(C)CC
(C)(C)C - Molecular Weight1
- 396.69
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.0650 | Relay (... Calculated Property | |
| ΔfG° | -65.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -919.15 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 54.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.08 | kJ/mol | Relay (... Calculated Property |
| IE | 9.67 | eV | Relay (... Calculated Property |
| log10WS | -8.69 | Relay (... Calculated Property | |
| logPoct/wat | 8.863 | Crippen Calculated Property | |
| McVol | 384.640 | ml/mol | McGowan Calculated Property |
| Pc | 754.33 | kPa | Joback Calculated Property |
| Inp | [2650.00; 2650.00] |
|
|
| Inp | 2650.00 | NIST | |
| Inp | 2650.00 | NIST | |
| Tboil | 623.10 | K | Relay (... Calculated Property |
| Tc | 812.06 | K | Relay (... Calculated Property |
| Tfus | 290.30 | K | Relay (... Calculated Property |
| Vc | 1.466 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1285.79; 1402.70] | J/mol×K | [866.90; 1061.38] |
|
| Cp,gas | 1285.79 | J/mol×K | 866.90 | Joback Calculated Property |
| Cp,gas | 1308.28 | J/mol×K | 899.31 | Joback Calculated Property |
| Cp,gas | 1329.48 | J/mol×K | 931.73 | Joback Calculated Property |
| Cp,gas | 1349.46 | J/mol×K | 964.14 | Joback Calculated Property |
| Cp,gas | 1368.28 | J/mol×K | 996.55 | Joback Calculated Property |
| Cp,gas | 1386.01 | J/mol×K | 1028.96 | Joback Calculated Property |
| Cp,gas | 1402.70 | J/mol×K | 1061.38 | Joback Calculated Property |
| η | [0.0000223; 0.0009683] | Pa×s | [442.36; 866.90] |
|
| η | 0.0009683 | Pa×s | 442.36 | Joback Calculated Property |
| η | 0.0003350 | Pa×s | 513.12 | Joback Calculated Property |
| η | 0.0001499 | Pa×s | 583.87 | Joback Calculated Property |
| η | 0.0000798 | Pa×s | 654.63 | Joback Calculated Property |
| η | 0.0000480 | Pa×s | 725.39 | Joback Calculated Property |
| η | 0.0000317 | Pa×s | 796.14 | Joback Calculated Property |
| η | 0.0000223 | Pa×s | 866.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 3,5,5-trimethyl-, heptadecyl ester.
Sources
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