- InChI
- InChI=1S/C25H50O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(26)27-23-24(2)3/h24H,4-23H2,1-3H3
- InChI Key
- CFKCCHCICMBUPR-UHFFFAOYSA-N
- Formula
- C25H50O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCC(=O)OCC(C
)C - Molecular Weight1
- 382.66
- Other Names
-
- Isobutyl heneicosanoate
- 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° | -76.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -809.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 59.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.01 | kJ/mol | Joback Calculated Property |
| log10WS | -8.91 | Crippen Calculated Property | |
| logPoct/wat | 8.617 | Crippen Calculated Property | |
| McVol | 370.550 | ml/mol | McGowan Calculated Property |
| Pc | 787.27 | kPa | Joback Calculated Property |
| Inp | 2634.00 | NIST | |
| Tboil | 847.25 | K | Joback Calculated Property |
| Tc | 1037.37 | K | Joback Calculated Property |
| Tfus | 428.67 | K | Joback Calculated Property |
| Vc | 1.454 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1221.19; 1336.60] | J/mol×K | [847.25; 1037.37] | 
|
| Cp,gas | 1221.19 | J/mol×K | 847.25 | Joback Calculated Property |
| Cp,gas | 1243.42 | J/mol×K | 878.94 | Joback Calculated Property |
| Cp,gas | 1264.39 | J/mol×K | 910.62 | Joback Calculated Property |
| Cp,gas | 1284.15 | J/mol×K | 942.31 | Joback Calculated Property |
| Cp,gas | 1302.75 | J/mol×K | 974.00 | Joback Calculated Property |
| Cp,gas | 1320.21 | J/mol×K | 1005.69 | Joback Calculated Property |
| Cp,gas | 1336.60 | J/mol×K | 1037.37 | Joback Calculated Property |
| η | [0.0000331; 0.0011387] | Pa×s | [428.67; 847.25] |
|
| η | 0.0011387 | Pa×s | 428.67 | Joback Calculated Property |
| η | 0.0004178 | Pa×s | 498.43 | Joback Calculated Property |
| η | 0.0001961 | Pa×s | 568.20 | Joback Calculated Property |
| η | 0.0001086 | Pa×s | 637.96 | Joback Calculated Property |
| η | 0.0000676 | Pa×s | 707.72 | Joback Calculated Property |
| η | 0.0000458 | Pa×s | 777.49 | Joback Calculated Property |
| η | 0.0000331 | Pa×s | 847.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heneicosanoic acid, isobutyl ester.
Sources
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