- InChI
- InChI=1S/C12H9F5O2/c1-2-3-4-5-19-12(18)6-7(13)9(15)11(17)10(16)8(6)14/h2H,1,3-5H2
- InChI Key
- ZJJKCIXVVJCZLM-UHFFFAOYSA-N
- Formula
- C12H9F5O2
- SMILES
-
C=CCCCOC(=O)c1c(F)c(F)c(F)c(F)
c1F - Molecular Weight1
- 280.19
- 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° | -1005.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1211.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.29 | kJ/mol | Joback Calculated Property |
| log10WS | -4.90 | Crippen Calculated Property | |
| logPoct/wat | 3.505 | Crippen Calculated Property | |
| McVol | 168.170 | ml/mol | McGowan Calculated Property |
| Pc | 1973.55 | kPa | Joback Calculated Property |
| Inp | [1300.00; 1312.00] |
|
|
| Inp | 1308.00 | NIST | |
| Inp | 1312.00 | NIST | |
| Inp | 1300.00 | NIST | |
| Inp | 1309.00 | NIST | |
| I | [1658.00; 1666.00] |
|
|
| I | 1663.00 | NIST | |
| I | 1663.00 | NIST | |
| I | 1658.00 | NIST | |
| I | 1666.00 | NIST | |
| Tboil | 594.86 | K | Joback Calculated Property |
| Tc | 767.98 | K | Joback Calculated Property |
| Tfus | 387.37 | K | Joback Calculated Property |
| Vc | 0.695 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [412.09; 468.51] | J/mol×K | [594.86; 767.98] |
|
| Cp,gas | 412.09 | J/mol×K | 594.86 | Joback Calculated Property |
| Cp,gas | 422.63 | J/mol×K | 623.71 | Joback Calculated Property |
| Cp,gas | 432.71 | J/mol×K | 652.57 | Joback Calculated Property |
| Cp,gas | 442.33 | J/mol×K | 681.42 | Joback Calculated Property |
| Cp,gas | 451.51 | J/mol×K | 710.27 | Joback Calculated Property |
| Cp,gas | 460.23 | J/mol×K | 739.13 | Joback Calculated Property |
| Cp,gas | 468.51 | J/mol×K | 767.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-pentenyl pentaflurobenzoate.
Sources
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