- InChI
- InChI=1S/C14H26O2/c1-3-5-7-9-10-12-14(15)16-13-11-8-6-4-2/h3H,1,4-13H2,2H3
- InChI Key
- CFVNOTDKULCDEH-UHFFFAOYSA-N
- Formula
- C14H26O2
- SMILES
- C=CCCCCCC(=O)OCCCCCC
- 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 | 0.7161 | Relay (1.0) Calculated Property | |
| ΔfG° | -79.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -546.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.246 | Crippen Calculated Property | |
| McVol | 211.260 | ml/mol | McGowan Calculated Property |
| Pc | 1633.81 | kPa | Joback Calculated Property |
| I | [1829.00; 1838.00] |
|
|
| I | 1829.00 | NIST | |
| I | 1838.00 | NIST | |
| I | 1829.00 | NIST | |
| I | 1838.00 | NIST | |
| I | 1829.00 | NIST | |
| Tboil | 545.33 | K | Relay (1.0) Calculated Property |
| Tc | 716.95 | K | Relay (1.0) Calculated Property |
| Tfus | 237.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.790 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [545.69; 634.00] | J/mol×K | [592.69; 763.14] |
|
| Cp,gas | 545.69 | J/mol×K | 592.69 | Joback Calculated Property |
| Cp,gas | 562.09 | J/mol×K | 621.10 | Joback Calculated Property |
| Cp,gas | 577.79 | J/mol×K | 649.51 | Joback Calculated Property |
| Cp,gas | 592.82 | J/mol×K | 677.92 | Joback Calculated Property |
| Cp,gas | 607.19 | J/mol×K | 706.32 | Joback Calculated Property |
| Cp,gas | 620.91 | J/mol×K | 734.73 | Joback Calculated Property |
| Cp,gas | 634.00 | J/mol×K | 763.14 | Joback Calculated Property |
| η | [0.0001590; 0.0026588] | Pa×s | [317.94; 592.69] |
|
| η | 0.0026588 | Pa×s | 317.94 | Joback Calculated Property |
| η | 0.0012373 | Pa×s | 363.73 | Joback Calculated Property |
| η | 0.0006832 | Pa×s | 409.52 | Joback Calculated Property |
| η | 0.0004251 | Pa×s | 455.31 | Joback Calculated Property |
| η | 0.0002885 | Pa×s | 501.11 | Joback Calculated Property |
| η | 0.0002089 | Pa×s | 546.90 | Joback Calculated Property |
| η | 0.0001590 | Pa×s | 592.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to hexyl 7-octenoate.
Sources
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