- InChI
- InChI=1S/C14H28O2/c1-4-7-9-11-14(15)16-12-13(6-3)10-8-5-2/h13H,4-12H2,1-3H3
- InChI Key
- QRNFTMKPBPCPJO-UHFFFAOYSA-N
- Formula
- C14H28O2
- SMILES
- CCCCCC(=O)OCC(CC)CCCC
- Molecular Weight1
- 228.37
- CAS
- 16397-75-4
- Other Names
-
- 2-Ethylhexyl caproate
- 2-ethylhexyl hexanoate
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7083 | Relay (1.0) Calculated Property | |
| ΔfG° | -169.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -654.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.47 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.326 | Crippen Calculated Property | |
| McVol | 215.560 | ml/mol | McGowan Calculated Property |
| Pc | 1589.81 | kPa | Joback Calculated Property |
| Inp | 1497.00 | NIST | |
| Tboil | 532.92 | K | Relay (1.0) Calculated Property |
| Tc | 706.23 | K | Relay (1.0) Calculated Property |
| Tfus | 190.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.800 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [567.35; 660.10] | J/mol×K | [595.57; 766.26] | 
|
| Cp,gas | 567.35 | J/mol×K | 595.57 | Joback Calculated Property |
| Cp,gas | 584.55 | J/mol×K | 624.02 | Joback Calculated Property |
| Cp,gas | 601.04 | J/mol×K | 652.47 | Joback Calculated Property |
| Cp,gas | 616.82 | J/mol×K | 680.91 | Joback Calculated Property |
| Cp,gas | 631.92 | J/mol×K | 709.36 | Joback Calculated Property |
| Cp,gas | 646.34 | J/mol×K | 737.81 | Joback Calculated Property |
| Cp,gas | 660.10 | J/mol×K | 766.26 | Joback Calculated Property |
| η | [0.0001432; 0.0037349] | Pa×s | [304.70; 595.57] |
|
| η | 0.0037349 | Pa×s | 304.70 | Joback Calculated Property |
| η | 0.0014934 | Pa×s | 353.18 | Joback Calculated Property |
| η | 0.0007451 | Pa×s | 401.66 | Joback Calculated Property |
| η | 0.0004318 | Pa×s | 450.13 | Joback Calculated Property |
| η | 0.0002782 | Pa×s | 498.61 | Joback Calculated Property |
| η | 0.0001938 | Pa×s | 547.09 | Joback Calculated Property |
| η | 0.0001432 | Pa×s | 595.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 2-ethylhexyl ester.
Sources
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