- InChI
- InChI=1S/C14H26O2/c1-3-5-7-9-10-12-14(15)16-13-11-8-6-4-2/h4H,2-3,5-13H2,1H3
- InChI Key
- PQKICODUSVBEAN-UHFFFAOYSA-N
- Formula
- C14H26O2
- SMILES
- C=CCCCCOC(=O)CCCCCCC
- Molecular Weight1
- 226.35
- 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).
- I : 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 | 0.7171 | Relay (1.0) Calculated Property | |
| ΔfG° | -155.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -545.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.246 | Crippen Calculated Property | |
| McVol | 211.260 | ml/mol | McGowan Calculated Property |
| Pc | 1580.97 | kPa | Joback Calculated Property |
| I | [1845.00; 1851.00] |
|
|
| I | 1845.00 | NIST | |
| I | 1845.00 | NIST | |
| I | 1851.00 | NIST | |
| I | 1845.00 | NIST | |
| I | 1851.00 | NIST | |
| Tboil | 546.16 | K | Relay (1.0) Calculated Property |
| Tc | 721.06 | K | Relay (1.0) Calculated Property |
| Tfus | 238.07 | K | Relay (1.0) Calculated Property |
| Vc | 0.794 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [538.17; 627.65] | J/mol×K | [574.82; 742.74] |
|
| Cp,gas | 538.17 | J/mol×K | 574.82 | Joback Calculated Property |
| Cp,gas | 554.82 | J/mol×K | 602.81 | Joback Calculated Property |
| Cp,gas | 570.76 | J/mol×K | 630.79 | Joback Calculated Property |
| Cp,gas | 586.00 | J/mol×K | 658.78 | Joback Calculated Property |
| Cp,gas | 600.55 | J/mol×K | 686.77 | Joback Calculated Property |
| Cp,gas | 614.43 | J/mol×K | 714.76 | Joback Calculated Property |
| Cp,gas | 627.65 | J/mol×K | 742.74 | Joback Calculated Property |
| η | [0.0001451; 0.0042690] | Pa×s | [288.11; 574.82] |
|
| η | 0.0042690 | Pa×s | 288.11 | Joback Calculated Property |
| η | 0.0016273 | Pa×s | 335.89 | Joback Calculated Property |
| η | 0.0007887 | Pa×s | 383.68 | Joback Calculated Property |
| η | 0.0004488 | Pa×s | 431.46 | Joback Calculated Property |
| η | 0.0002858 | Pa×s | 479.25 | Joback Calculated Property |
| η | 0.0001975 | Pa×s | 527.03 | Joback Calculated Property |
| η | 0.0001451 | Pa×s | 574.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-hexenyl octanoate.
Sources
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