- InChI
- InChI=1S/C20H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(21)22-18-19(2)3/h19H,4-18H2,1-3H3
- InChI Key
- OJIBJRXMHVZPLV-UHFFFAOYSA-N
- Formula
- C20H40O2
- SMILES
- CCCCCCCCCCCCCCCC(=O)OCC(C)C
- Molecular Weight1
- 312.53
- CAS
- 110-34-9
- Other Names
-
- 2-methylpropyl hexadecanoate
- isobutyl hexadecanoate
- Isobutyl palmitate
- 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.
- I : 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° | -118.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -706.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.88 | kJ/mol | Joback Calculated Property |
| log10WS | -6.82 | Crippen Calculated Property | |
| logPoct/wat | 6.667 | Crippen Calculated Property | |
| McVol | 300.100 | ml/mol | McGowan Calculated Property |
| Pc | 1051.41 | kPa | Joback Calculated Property |
| Inp | [2129.00; 2135.00] |
|
|
| Inp | 2135.00 | NIST | |
| Inp | 2129.00 | NIST | |
| Inp | 2129.00 | NIST | |
| Inp | 2135.00 | NIST | |
| I | [2367.00; 2367.00] |
|
|
| I | 2367.00 | NIST | |
| I | 2367.00 | NIST | |
| Tboil | 732.85 | K | Joback Calculated Property |
| Tc | 905.32 | K | Joback Calculated Property |
| Tfus | 372.32 | K | Joback Calculated Property |
| Vc | 1.173 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [908.95; 1014.26] | J/mol×K | [732.85; 905.32] |
|
| Cp,gas | 908.95 | J/mol×K | 732.85 | Joback Calculated Property |
| Cp,gas | 928.77 | J/mol×K | 761.59 | Joback Calculated Property |
| Cp,gas | 947.65 | J/mol×K | 790.34 | Joback Calculated Property |
| Cp,gas | 965.61 | J/mol×K | 819.08 | Joback Calculated Property |
| Cp,gas | 982.69 | J/mol×K | 847.83 | Joback Calculated Property |
| Cp,gas | 998.90 | J/mol×K | 876.57 | Joback Calculated Property |
| Cp,gas | 1014.26 | J/mol×K | 905.32 | Joback Calculated Property |
| η | [0.0000677; 0.0021002] | Pa×s | [372.32; 732.85] |
|
| η | 0.0021002 | Pa×s | 372.32 | Joback Calculated Property |
| η | 0.0007959 | Pa×s | 432.41 | Joback Calculated Property |
| η | 0.0003822 | Pa×s | 492.50 | Joback Calculated Property |
| η | 0.0002153 | Pa×s | 552.59 | Joback Calculated Property |
| η | 0.0001357 | Pa×s | 612.67 | Joback Calculated Property |
| η | 0.0000929 | Pa×s | 672.76 | Joback Calculated Property |
| η | 0.0000677 | Pa×s | 732.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexadecanoic acid, 2-methylpropyl ester.
Sources
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