- InChI
- InChI=1S/C17H34O2/c1-6-7-8-9-10-11-12-19-16(18)13-15(2)14-17(3,4)5/h15H,6-14H2,1-5H3
- InChI Key
- AFKAUGCQTBKHFR-UHFFFAOYSA-N
- Formula
- C17H34O2
- SMILES
- CCCCCCCCOC(=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 | 0.7463 | Relay (1.0) Calculated Property | |
| ΔfG° | -141.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -736.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.353 | Crippen Calculated Property | |
| McVol | 257.830 | ml/mol | McGowan Calculated Property |
| Pc | 1296.73 | kPa | Joback Calculated Property |
| Inp | [1737.00; 1737.00] |
|
|
| Inp | 1737.00 | NIST | |
| Inp | 1737.00 | NIST | |
| Tboil | 544.16 | K | Relay (1.0) Calculated Property |
| Tc | 725.97 | K | Relay (1.0) Calculated Property |
| Tfus | 244.19 | K | Relay (1.0) Calculated Property |
| Vc | 0.959 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [734.90; 836.49] | J/mol×K | [660.98; 836.78] |
|
| Cp,gas | 734.90 | J/mol×K | 660.98 | Joback Calculated Property |
| Cp,gas | 754.03 | J/mol×K | 690.28 | Joback Calculated Property |
| Cp,gas | 772.24 | J/mol×K | 719.58 | Joback Calculated Property |
| Cp,gas | 789.56 | J/mol×K | 748.88 | Joback Calculated Property |
| Cp,gas | 806.02 | J/mol×K | 778.18 | Joback Calculated Property |
| Cp,gas | 821.65 | J/mol×K | 807.48 | Joback Calculated Property |
| Cp,gas | 836.49 | J/mol×K | 836.78 | Joback Calculated Property |
| η | [0.0000861; 0.0032553] | Pa×s | [340.93; 660.98] |
|
| η | 0.0032553 | Pa×s | 340.93 | Joback Calculated Property |
| η | 0.0011797 | Pa×s | 394.27 | Joback Calculated Property |
| η | 0.0005445 | Pa×s | 447.61 | Joback Calculated Property |
| η | 0.0002963 | Pa×s | 500.95 | Joback Calculated Property |
| η | 0.0001813 | Pa×s | 554.30 | Joback Calculated Property |
| η | 0.0001209 | Pa×s | 607.64 | Joback Calculated Property |
| η | 0.0000861 | Pa×s | 660.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 3,5,5-trimethyl-, octyl ester.
Sources
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