- InChI
- InChI=1S/C26H52O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(27)28-24-25(2)3/h25H,4-24H2,1-3H3
- InChI Key
- MLOOWFAQLIBHEP-UHFFFAOYSA-N
- Formula
- C26H52O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(
C)C - Molecular Weight1
- 396.69
- Other Names
-
- Isobutyl behenoate
- 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° | -68.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -830.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 62.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.24 | kJ/mol | Joback Calculated Property |
| log10WS | -9.33 | Crippen Calculated Property | |
| logPoct/wat | 9.008 | Crippen Calculated Property | |
| McVol | 384.640 | ml/mol | McGowan Calculated Property |
| Pc | 746.51 | kPa | Joback Calculated Property |
| Inp | [2724.00; 2724.00] |
|
|
| Inp | 2724.00 | NIST | |
| Inp | 2724.00 | NIST | |
| Tboil | 870.13 | K | Joback Calculated Property |
| Tc | 1066.30 | K | Joback Calculated Property |
| Tfus | 439.94 | K | Joback Calculated Property |
| Vc | 1.510 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1285.77; 1403.60] | J/mol×K | [870.13; 1066.30] |
|
| Cp,gas | 1285.77 | J/mol×K | 870.13 | Joback Calculated Property |
| Cp,gas | 1308.62 | J/mol×K | 902.82 | Joback Calculated Property |
| Cp,gas | 1330.12 | J/mol×K | 935.52 | Joback Calculated Property |
| Cp,gas | 1350.31 | J/mol×K | 968.21 | Joback Calculated Property |
| Cp,gas | 1369.26 | J/mol×K | 1000.91 | Joback Calculated Property |
| Cp,gas | 1387.01 | J/mol×K | 1033.60 | Joback Calculated Property |
| Cp,gas | 1403.60 | J/mol×K | 1066.30 | Joback Calculated Property |
| η | [0.0000285; 0.0009974] | Pa×s | [439.94; 870.13] |
|
| η | 0.0009974 | Pa×s | 439.94 | Joback Calculated Property |
| η | 0.0003640 | Pa×s | 511.64 | Joback Calculated Property |
| η | 0.0001702 | Pa×s | 583.34 | Joback Calculated Property |
| η | 0.0000940 | Pa×s | 655.04 | Joback Calculated Property |
| η | 0.0000583 | Pa×s | 726.73 | Joback Calculated Property |
| η | 0.0000395 | Pa×s | 798.43 | Joback Calculated Property |
| η | 0.0000285 | Pa×s | 870.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Docosanoic acid, isobutyl ester.
Sources
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