- InChI
- InChI=1S/C15H30O2/c1-11(2)8-13(4)17-14(16)9-12(3)10-15(5,6)7/h11-13H,8-10H2,1-7H3
- InChI Key
- LLGLURCCPYKGIJ-UHFFFAOYSA-N
- Formula
- C15H30O2
- SMILES
- CC(C)CC(C)OC(=O)CC(C)CC(C)(C)C
- Molecular Weight1
- 242.40
- 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° | -162.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -622.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.68 | kJ/mol | Joback Calculated Property |
| log10WS | -4.35 | Crippen Calculated Property | |
| logPoct/wat | 4.427 | Crippen Calculated Property | |
| McVol | 229.650 | ml/mol | McGowan Calculated Property |
| Pc | 1515.21 | kPa | Joback Calculated Property |
| Inp | [1439.00; 1439.00] |
|
|
| Inp | 1439.00 | NIST | |
| Inp | 1439.00 | NIST | |
| Tboil | 614.34 | K | Joback Calculated Property |
| Tc | 797.87 | K | Joback Calculated Property |
| Tfus | 288.39 | K | Joback Calculated Property |
| Vc | 0.871 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [624.39; 725.51] | J/mol×K | [614.34; 797.87] |
|
| Cp,gas | 624.39 | J/mol×K | 614.34 | Joback Calculated Property |
| Cp,gas | 643.52 | J/mol×K | 644.93 | Joback Calculated Property |
| Cp,gas | 661.70 | J/mol×K | 675.52 | Joback Calculated Property |
| Cp,gas | 678.96 | J/mol×K | 706.10 | Joback Calculated Property |
| Cp,gas | 695.32 | J/mol×K | 736.69 | Joback Calculated Property |
| Cp,gas | 710.83 | J/mol×K | 767.28 | Joback Calculated Property |
| Cp,gas | 725.51 | J/mol×K | 797.87 | Joback Calculated Property |
| η | [0.0000981; 0.0088187] | Pa×s | [288.39; 614.34] |
|
| η | 0.0088187 | Pa×s | 288.39 | Joback Calculated Property |
| η | 0.0023000 | Pa×s | 342.71 | Joback Calculated Property |
| η | 0.0008665 | Pa×s | 397.04 | Joback Calculated Property |
| η | 0.0004129 | Pa×s | 451.37 | Joback Calculated Property |
| η | 0.0002307 | Pa×s | 505.69 | Joback Calculated Property |
| η | 0.0001444 | Pa×s | 560.02 | Joback Calculated Property |
| η | 0.0000981 | Pa×s | 614.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 3,5,5-trimethyl-, 4-methyl-2-pentyl ester.
Sources
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