- InChI
- InChI=1S/C12H20O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h4-5,7H,2-3,6,8-11H2,1H3/b7-5-
- InChI Key
- LKAMWBVFZDHJBB-ALCCZGGFSA-N
- Formula
- C12H20O2
- SMILES
- C=CCCCC(=O)OCCC=CCC
- Molecular Weight1
- 196.29
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -15.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -293.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.75 | kJ/mol | Joback Calculated Property |
| log10WS | -3.42 | Crippen Calculated Property | |
| logPoct/wat | 3.242 | Crippen Calculated Property | |
| McVol | 178.780 | ml/mol | McGowan Calculated Property |
| Pc | 2010.90 | kPa | Joback Calculated Property |
| I | [1684.00; 1686.00] |
|
|
| I | 1684.00 | NIST | |
| I | 1686.00 | NIST | |
| I | 1684.00 | NIST | |
| I | 1686.00 | NIST | |
| Tboil | 551.09 | K | Joback Calculated Property |
| Tc | 730.69 | K | Joback Calculated Property |
| Tfus | 290.32 | K | Joback Calculated Property |
| Vc | 0.693 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [425.90; 504.97] | J/mol×K | [551.09; 730.69] |
|
| Cp,gas | 425.90 | J/mol×K | 551.09 | Joback Calculated Property |
| Cp,gas | 440.69 | J/mol×K | 581.02 | Joback Calculated Property |
| Cp,gas | 454.80 | J/mol×K | 610.96 | Joback Calculated Property |
| Cp,gas | 468.27 | J/mol×K | 640.89 | Joback Calculated Property |
| Cp,gas | 481.10 | J/mol×K | 670.82 | Joback Calculated Property |
| Cp,gas | 493.33 | J/mol×K | 700.76 | Joback Calculated Property |
| Cp,gas | 504.97 | J/mol×K | 730.69 | Joback Calculated Property |
| η | [0.0001640; 0.0027044] | Pa×s | [290.32; 551.09] |
|
| η | 0.0027044 | Pa×s | 290.32 | Joback Calculated Property |
| η | 0.0012505 | Pa×s | 333.78 | Joback Calculated Property |
| η | 0.0006907 | Pa×s | 377.24 | Joback Calculated Property |
| η | 0.0004313 | Pa×s | 420.71 | Joback Calculated Property |
| η | 0.0002941 | Pa×s | 464.17 | Joback Calculated Property |
| η | 0.0002142 | Pa×s | 507.63 | Joback Calculated Property |
| η | 0.0001640 | Pa×s | 551.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Z)-3-hexenyl 5-hexenoate.
Sources
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