- InChI
- InChI=1S/C15H30O2/c1-6-7-8-9-10-17-14(16)11-13(2)12-15(3,4)5/h13H,6-12H2,1-5H3
- InChI Key
- QMINKKOXQXKWDS-UHFFFAOYSA-N
- Formula
- C15H30O2
- SMILES
- CCCCCCOC(=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).
- 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° | -158.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -611.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.46 | kJ/mol | Joback Calculated Property |
| log10WS | -4.48 | Crippen Calculated Property | |
| logPoct/wat | 4.572 | Crippen Calculated Property | |
| McVol | 229.650 | ml/mol | McGowan Calculated Property |
| Pc | 1496.51 | kPa | Joback Calculated Property |
| Tboil | 615.22 | K | Joback Calculated Property |
| Tc | 792.72 | K | Joback Calculated Property |
| Tfus | 318.39 | K | Joback Calculated Property |
| Vc | 0.882 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [623.69; 721.60] | J/mol×K | [615.22; 792.72] | 
|
| Cp,gas | 623.69 | J/mol×K | 615.22 | Joback Calculated Property |
| Cp,gas | 642.10 | J/mol×K | 644.80 | Joback Calculated Property |
| Cp,gas | 659.64 | J/mol×K | 674.39 | Joback Calculated Property |
| Cp,gas | 676.33 | J/mol×K | 703.97 | Joback Calculated Property |
| Cp,gas | 692.20 | J/mol×K | 733.56 | Joback Calculated Property |
| Cp,gas | 707.28 | J/mol×K | 763.14 | Joback Calculated Property |
| Cp,gas | 721.60 | J/mol×K | 792.72 | Joback Calculated Property |
| η | [0.0001128; 0.0040895] | Pa×s | [318.39; 615.22] |
|
| η | 0.0040895 | Pa×s | 318.39 | Joback Calculated Property |
| η | 0.0015032 | Pa×s | 367.86 | Joback Calculated Property |
| η | 0.0007005 | Pa×s | 417.33 | Joback Calculated Property |
| η | 0.0003838 | Pa×s | 466.81 | Joback Calculated Property |
| η | 0.0002360 | Pa×s | 516.28 | Joback Calculated Property |
| η | 0.0001580 | Pa×s | 565.75 | Joback Calculated Property |
| η | 0.0001128 | Pa×s | 615.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 3,5,5-trimethyl-, hexyl ester.
Sources
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