- 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 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [309.00; 721.20] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.25800e+01 | |||
| Coefficient B | 1.25902e+00 | |||
| Coefficient C | -6.66100e-04 | |||
| Coefficient D | 1.15700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 309.00 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 379.75 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 443.40 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 500.33 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 550.91 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 595.49 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 634.44 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 668.13 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 696.93 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 721.20 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0042690; 0.0002078] | Pa×s | [288.11; 519.92] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.22359e+01 | |||
| Coefficient B | 1.95324e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 288.11 | |||
| Temperature range, max. | 519.92 | |||
| η | 0.0042690 | Pa×s | 288.11 | Calculated Property |
| η | 0.0024474 | Pa×s | 313.87 | Calculated Property |
| η | 0.0015267 | Pa×s | 339.62 | Calculated Property |
| η | 0.0010178 | Pa×s | 365.38 | Calculated Property |
| η | 0.0007158 | Pa×s | 391.14 | Calculated Property |
| η | 0.0005258 | Pa×s | 416.89 | Calculated Property |
| η | 0.0004003 | Pa×s | 442.65 | Calculated Property |
| η | 0.0003141 | Pa×s | 468.41 | Calculated Property |
| η | 0.0002527 | Pa×s | 494.16 | Calculated Property |
| η | 0.0002078 | Pa×s | 519.92 | Calculated Property |
Similar Compounds
Find more compounds similar to 5-hexenyl octanoate.
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