- InChI
- InChI=1S/C22H44O2/c1-7-9-11-12-14-16-20(15-13-10-8-2)24-21(23)17-19(3)18-22(4,5)6/h19-20H,7-18H2,1-6H3
- InChI Key
- AUFHVUVLSWCFOE-UHFFFAOYSA-N
- Formula
- C22H44O2
- SMILES
-
CCCCCCCC(CCCCC)OC(=O)CC(C)CC(C
)(C)C - Molecular Weight1
- 340.58
- 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° | -101.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -761.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.65 | kJ/mol | Joback Calculated Property |
| log10WS | -7.52 | Crippen Calculated Property | |
| logPoct/wat | 7.301 | Crippen Calculated Property | |
| McVol | 328.280 | ml/mol | McGowan Calculated Property |
| Pc | 947.33 | kPa | Joback Calculated Property |
| Inp | [2056.00; 2056.00] |
|
|
| Inp | 2056.00 | NIST | |
| Inp | 2056.00 | NIST | |
| Tboil | 774.94 | K | Joback Calculated Property |
| Tc | 955.64 | K | Joback Calculated Property |
| Tfus | 382.28 | K | Joback Calculated Property |
| Vc | 1.268 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1032.89; 1142.63] | J/mol×K | [774.94; 955.64] |
|
| Cp,gas | 1032.89 | J/mol×K | 774.94 | Joback Calculated Property |
| Cp,gas | 1053.76 | J/mol×K | 805.06 | Joback Calculated Property |
| Cp,gas | 1073.54 | J/mol×K | 835.17 | Joback Calculated Property |
| Cp,gas | 1092.27 | J/mol×K | 865.29 | Joback Calculated Property |
| Cp,gas | 1110.00 | J/mol×K | 895.41 | Joback Calculated Property |
| Cp,gas | 1126.77 | J/mol×K | 925.53 | Joback Calculated Property |
| Cp,gas | 1142.63 | J/mol×K | 955.64 | Joback Calculated Property |
| η | [0.0000383; 0.0022274] | Pa×s | [382.28; 774.94] |
|
| η | 0.0022274 | Pa×s | 382.28 | Joback Calculated Property |
| η | 0.0006896 | Pa×s | 447.72 | Joback Calculated Property |
| η | 0.0002879 | Pa×s | 513.17 | Joback Calculated Property |
| η | 0.0001465 | Pa×s | 578.61 | Joback Calculated Property |
| η | 0.0000855 | Pa×s | 644.05 | Joback Calculated Property |
| η | 0.0000551 | Pa×s | 709.50 | Joback Calculated Property |
| η | 0.0000383 | Pa×s | 774.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 3,5,5-trimethyl-, tridec-6-yl ester.
Sources
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