- InChI
- InChI=1S/C19H38O2/c1-6-7-8-9-10-11-12-13-14-21-18(20)15-17(2)16-19(3,4)5/h17H,6-16H2,1-5H3
- InChI Key
- GIFONBUKXIYAFO-UHFFFAOYSA-N
- Formula
- C19H38O2
- SMILES
- CCCCCCCCCCOC(=O)CC(C)CC(C)(C)C
- Molecular Weight1
- 298.50
- 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° | -124.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -694.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.36 | kJ/mol | Joback Calculated Property |
| log10WS | -6.15 | Crippen Calculated Property | |
| logPoct/wat | 6.133 | Crippen Calculated Property | |
| McVol | 286.010 | ml/mol | McGowan Calculated Property |
| Pc | 1134.43 | kPa | Joback Calculated Property |
| Inp | [1935.00; 1935.00] |
|
|
| Inp | 1935.00 | NIST | |
| Inp | 1935.00 | NIST | |
| Tboil | 706.74 | K | Joback Calculated Property |
| Tc | 882.45 | K | Joback Calculated Property |
| Tfus | 363.47 | K | Joback Calculated Property |
| Vc | 1.107 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [850.89; 955.57] | J/mol×K | [706.74; 882.45] |
|
| Cp,gas | 850.89 | J/mol×K | 706.74 | Joback Calculated Property |
| Cp,gas | 870.65 | J/mol×K | 736.03 | Joback Calculated Property |
| Cp,gas | 889.43 | J/mol×K | 765.31 | Joback Calculated Property |
| Cp,gas | 907.28 | J/mol×K | 794.60 | Joback Calculated Property |
| Cp,gas | 924.23 | J/mol×K | 823.88 | Joback Calculated Property |
| Cp,gas | 940.32 | J/mol×K | 853.17 | Joback Calculated Property |
| Cp,gas | 955.57 | J/mol×K | 882.45 | Joback Calculated Property |
| η | [0.0000648; 0.0025443] | Pa×s | [363.47; 706.74] |
|
| η | 0.0025443 | Pa×s | 363.47 | Joback Calculated Property |
| η | 0.0009106 | Pa×s | 420.68 | Joback Calculated Property |
| η | 0.0004168 | Pa×s | 477.89 | Joback Calculated Property |
| η | 0.0002255 | Pa×s | 535.11 | Joback Calculated Property |
| η | 0.0001374 | Pa×s | 592.32 | Joback Calculated Property |
| η | 0.0000913 | Pa×s | 649.53 | Joback Calculated Property |
| η | 0.0000648 | Pa×s | 706.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 3,5,5-trimethyl-, decyl ester.
Sources
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