- InChI
- InChI=1S/C17H34O2/c1-7-9-10-15(8-2)13-19-16(18)11-14(3)12-17(4,5)6/h14-15H,7-13H2,1-6H3
- InChI Key
- LCVHZNSIAYNAGX-UHFFFAOYSA-N
- Formula
- C17H34O2
- SMILES
- CCCCC(CC)COC(=O)CC(C)CC(C)(C)C
- Molecular Weight1
- 270.45
- 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 | 0.6942 | Relay (... Calculated Property | |
| ΔfG° | -143.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -751.59 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 28.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.76 | kJ/mol | Relay (... Calculated Property |
| IE | 9.38 | eV | Relay (... Calculated Property |
| log10WS | -5.56 | Relay (... Calculated Property | |
| logPoct/wat | 5.208 | Crippen Calculated Property | |
| McVol | 257.830 | ml/mol | McGowan Calculated Property |
| Pc | 1304.23 | kPa | Joback Calculated Property |
| Inp | [1660.00; 1660.00] |
|
|
| Inp | 1660.00 | NIST | |
| Inp | 1660.00 | NIST | |
| Tboil | 542.17 | K | Relay (... Calculated Property |
| Tc | 716.21 | K | Relay (... Calculated Property |
| Tfus | 212.42 | K | Relay (... Calculated Property |
| Vc | 0.940 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [735.30; 838.23] | J/mol×K | [660.54; 838.82] |
|
| Cp,gas | 735.30 | J/mol×K | 660.54 | Joback Calculated Property |
| Cp,gas | 754.73 | J/mol×K | 690.25 | Joback Calculated Property |
| Cp,gas | 773.21 | J/mol×K | 719.97 | Joback Calculated Property |
| Cp,gas | 790.77 | J/mol×K | 749.68 | Joback Calculated Property |
| Cp,gas | 807.44 | J/mol×K | 779.39 | Joback Calculated Property |
| Cp,gas | 823.25 | J/mol×K | 809.11 | Joback Calculated Property |
| Cp,gas | 838.23 | J/mol×K | 838.82 | Joback Calculated Property |
| η | [0.0000799; 0.0045159] | Pa×s | [325.93; 660.54] |
|
| η | 0.0045159 | Pa×s | 325.93 | Joback Calculated Property |
| η | 0.0014107 | Pa×s | 381.70 | Joback Calculated Property |
| η | 0.0005928 | Pa×s | 437.47 | Joback Calculated Property |
| η | 0.0003031 | Pa×s | 493.23 | Joback Calculated Property |
| η | 0.0001776 | Pa×s | 549.00 | Joback Calculated Property |
| η | 0.0001148 | Pa×s | 604.77 | Joback Calculated Property |
| η | 0.0000799 | Pa×s | 660.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 3,5,5-trimethyl-, 2-ethylhexyl ester.
Sources
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