- InChI
- InChI=1S/C12H20O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5,7-8,10H,3-4,6,9,11H2,1-2H3/b7-5-,10-8+
- InChI Key
- WAZKUHYKUCORDK-SUTBWYPISA-N
- Formula
- C12H20O2
- SMILES
- CCC=CCCOC(=O)C=CCCC
- Molecular Weight1
- 196.29
- CAS
- 53398-87-1
- Other Names
-
- cis-3-Hexenyl trans-2-hexenoate
- (3Z)-3-Hexenyl (2E)-2-hexenoate
- (Z)-3-Hexenyl (E)-2-hexenoate
- 2-Hexenoic acid, (3Z)-3-hexenyl ester, (2E)-
- 2-Hexenoic acid, (3Z)-3-hexen-1-yl ester, (2E)-
- TRANS-2-HEXENOATO CIS-3 HEXENILO
- Hex-3-enyl-hex-2-enoate
- 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).
- Inp : Non-polar retention indices.
- 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° | -23.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -301.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.38 | 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 | 2029.06 | kPa | Joback Calculated Property |
| Inp | 1401.00 | NIST | |
| I | 1703.00 | NIST | |
| Tboil | 558.57 | K | Joback Calculated Property |
| Tc | 742.19 | K | Joback Calculated Property |
| Tfus | 287.00 | K | Joback Calculated Property |
| Vc | 0.692 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [427.05; 506.52] | J/mol×K | [558.57; 742.19] | 
|
| Cp,gas | 427.05 | J/mol×K | 558.57 | Joback Calculated Property |
| Cp,gas | 441.98 | J/mol×K | 589.17 | Joback Calculated Property |
| Cp,gas | 456.20 | J/mol×K | 619.78 | Joback Calculated Property |
| Cp,gas | 469.73 | J/mol×K | 650.38 | Joback Calculated Property |
| Cp,gas | 482.61 | J/mol×K | 680.98 | Joback Calculated Property |
| Cp,gas | 494.87 | J/mol×K | 711.59 | Joback Calculated Property |
| Cp,gas | 506.52 | J/mol×K | 742.19 | Joback Calculated Property |
| η | [0.0001355; 0.0026769] | Pa×s | [287.00; 558.57] |
|
| η | 0.0026769 | Pa×s | 287.00 | Joback Calculated Property |
| η | 0.0011604 | Pa×s | 332.26 | Joback Calculated Property |
| η | 0.0006146 | Pa×s | 377.52 | Joback Calculated Property |
| η | 0.0003730 | Pa×s | 422.79 | Joback Calculated Property |
| η | 0.0002493 | Pa×s | 468.05 | Joback Calculated Property |
| η | 0.0001789 | Pa×s | 513.31 | Joback Calculated Property |
| η | 0.0001355 | Pa×s | 558.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hexenoic acid, 3-hexenyl ester, (E,Z)-.
Sources
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