- InChI
- InChI=1S/C13H11F5O2/c1-2-3-4-5-6-20-13(19)7-8(14)10(16)12(18)11(17)9(7)15/h3-4H,2,5-6H2,1H3/b4-3+
- InChI Key
- XRWDLDUDVMKQGG-ONEGZZNKSA-N
- Formula
- C13H11F5O2
- SMILES
-
CCC=CCCOC(=O)c1c(F)c(F)c(F)c(F
)c1F - Molecular Weight1
- 294.22
- Other Names
-
- (E)-3-hexenyl pentaflurobenzoate
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | -1004.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1240.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.15 | kJ/mol | Joback Calculated Property |
| log10WS | -5.32 | Crippen Calculated Property | |
| logPoct/wat | 3.895 | Crippen Calculated Property | |
| McVol | 182.260 | ml/mol | McGowan Calculated Property |
| Pc | 1830.98 | kPa | Joback Calculated Property |
| Inp | [1404.00; 1433.00] |
|
|
| Inp | 1408.00 | NIST | |
| Inp | 1414.00 | NIST | |
| Inp | 1404.00 | NIST | |
| Inp | 1433.00 | NIST | |
| Inp | 1413.00 | NIST | |
| I | [1743.00; 1748.00] |
|
|
| I | 1745.00 | NIST | |
| I | 1746.00 | NIST | |
| I | 1743.00 | NIST | |
| I | 1748.00 | NIST | |
| Tboil | 625.22 | K | Joback Calculated Property |
| Tc | 800.76 | K | Joback Calculated Property |
| Tfus | 395.32 | K | Joback Calculated Property |
| Vc | 0.750 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [460.65; 520.97] | J/mol×K | [625.22; 800.76] |
|
| Cp,gas | 460.65 | J/mol×K | 625.22 | Joback Calculated Property |
| Cp,gas | 471.98 | J/mol×K | 654.48 | Joback Calculated Property |
| Cp,gas | 482.79 | J/mol×K | 683.73 | Joback Calculated Property |
| Cp,gas | 493.09 | J/mol×K | 712.99 | Joback Calculated Property |
| Cp,gas | 502.88 | J/mol×K | 742.25 | Joback Calculated Property |
| Cp,gas | 512.17 | J/mol×K | 771.50 | Joback Calculated Property |
| Cp,gas | 520.97 | J/mol×K | 800.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-Hex-3-enyl 2,3,4,5,6-pentafluorobenzoate.
Sources
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