- InChI
- InChI=1S/C16H22O3/c1-4-6-7-9-16(17)19-14-11-10-13(8-5-2)12-15(14)18-3/h5,10-12H,2,4,6-9H2,1,3H3
- InChI Key
- CBTUXJRFSPCNEZ-UHFFFAOYSA-N
- Formula
- C16H22O3
- SMILES
- C=CCc1ccc(OC(=O)CCCCC)c(OC)c1
- Molecular Weight1
- 262.34
- 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 | 0.7578 | Relay (1.0) Calculated Property | |
| ΔfG° | -74.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -474.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.909 | Crippen Calculated Property | |
| McVol | 221.550 | ml/mol | McGowan Calculated Property |
| Pc | 1762.45 | kPa | Joback Calculated Property |
| Inp | [1917.00; 1917.00] |
|
|
| Inp | 1917.00 | NIST | |
| Inp | 1917.00 | NIST | |
| Tboil | 599.35 | K | Relay (1.0) Calculated Property |
| Tc | 796.55 | K | Relay (1.0) Calculated Property |
| Tfus | 288.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.798 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [603.95; 686.67] | J/mol×K | [697.51; 896.32] |
|
| Cp,gas | 603.95 | J/mol×K | 697.51 | Joback Calculated Property |
| Cp,gas | 619.94 | J/mol×K | 730.64 | Joback Calculated Property |
| Cp,gas | 635.04 | J/mol×K | 763.78 | Joback Calculated Property |
| Cp,gas | 649.24 | J/mol×K | 796.91 | Joback Calculated Property |
| Cp,gas | 662.58 | J/mol×K | 830.05 | Joback Calculated Property |
| Cp,gas | 675.05 | J/mol×K | 863.18 | Joback Calculated Property |
| Cp,gas | 686.67 | J/mol×K | 896.32 | Joback Calculated Property |
| η | [0.0000988; 0.0008322] | Pa×s | [414.17; 697.51] |
|
| η | 0.0008322 | Pa×s | 414.17 | Joback Calculated Property |
| η | 0.0004864 | Pa×s | 461.39 | Joback Calculated Property |
| η | 0.0003141 | Pa×s | 508.62 | Joback Calculated Property |
| η | 0.0002185 | Pa×s | 555.84 | Joback Calculated Property |
| η | 0.0001609 | Pa×s | 603.06 | Joback Calculated Property |
| η | 0.0001238 | Pa×s | 650.29 | Joback Calculated Property |
| η | 0.0000988 | Pa×s | 697.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Eugenyl hexanoate.
Sources
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