- InChI
- InChI=1S/C14H28O2/c1-6-7-8-9-16-13(15)10-12(2)11-14(3,4)5/h12H,6-11H2,1-5H3
- InChI Key
- IOCHFKDIFYSUKT-UHFFFAOYSA-N
- Formula
- C14H28O2
- SMILES
- CCCCCOC(=O)CC(C)CC(C)(C)C
- Molecular Weight1
- 228.37
- 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° | -166.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -591.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.23 | kJ/mol | Joback Calculated Property |
| log10WS | -4.06 | Crippen Calculated Property | |
| logPoct/wat | 4.182 | Crippen Calculated Property | |
| McVol | 215.560 | ml/mol | McGowan Calculated Property |
| Pc | 1614.17 | kPa | Joback Calculated Property |
| Inp | [1403.00; 1403.00] |
|
|
| Inp | 1403.00 | NIST | |
| Inp | 1403.00 | NIST | |
| Tboil | 592.34 | K | Joback Calculated Property |
| Tc | 771.18 | K | Joback Calculated Property |
| Tfus | 307.12 | K | Joback Calculated Property |
| Vc | 0.827 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [570.08; 665.79] | J/mol×K | [592.34; 771.18] |
|
| Cp,gas | 570.08 | J/mol×K | 592.34 | Joback Calculated Property |
| Cp,gas | 588.08 | J/mol×K | 622.15 | Joback Calculated Property |
| Cp,gas | 605.22 | J/mol×K | 651.95 | Joback Calculated Property |
| Cp,gas | 621.53 | J/mol×K | 681.76 | Joback Calculated Property |
| Cp,gas | 637.05 | J/mol×K | 711.57 | Joback Calculated Property |
| Cp,gas | 651.79 | J/mol×K | 741.37 | Joback Calculated Property |
| Cp,gas | 665.79 | J/mol×K | 771.18 | Joback Calculated Property |
| η | [0.0001283; 0.0045463] | Pa×s | [307.12; 592.34] |
|
| η | 0.0045463 | Pa×s | 307.12 | Joback Calculated Property |
| η | 0.0016842 | Pa×s | 354.66 | Joback Calculated Property |
| η | 0.0007890 | Pa×s | 402.19 | Joback Calculated Property |
| η | 0.0004339 | Pa×s | 449.73 | Joback Calculated Property |
| η | 0.0002675 | Pa×s | 497.27 | Joback Calculated Property |
| η | 0.0001795 | Pa×s | 544.80 | Joback Calculated Property |
| η | 0.0001283 | Pa×s | 592.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 3,5,5-trimethyl-, pentyl ester.
Sources
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