- InChI
- InChI=1S/C12H9F5O2/c1-5(2)3-4-19-12(18)6-7(13)9(15)11(17)10(16)8(6)14/h1,3-4H2,2H3
- InChI Key
- BTSWFQQPZGDXBF-UHFFFAOYSA-N
- Formula
- C12H9F5O2
- SMILES
-
C=C(C)CCOC(=O)c1c(F)c(F)c(F)c(
F)c1F - Molecular Weight1
- 280.19
- ω : Acentric Factor.
- 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).
- 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 | 0.6363 | Relay (... Calculated Property | |
| ΔfG° | -1014.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1061.12 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 34.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.03 | kJ/mol | Relay (... Calculated Property |
| IE | 9.67 | eV | Relay (... Calculated Property |
| log10WS | -5.66 | Relay (... Calculated Property | |
| logPoct/wat | 3.505 | Crippen Calculated Property | |
| McVol | 168.170 | ml/mol | McGowan Calculated Property |
| Pc | 1982.35 | kPa | Joback Calculated Property |
| Inp | [1322.00; 1322.00] |
|
|
| Inp | 1322.00 | NIST | |
| Inp | 1322.00 | NIST | |
| Tboil | 509.09 | K | Relay (... Calculated Property |
| Tc | 692.34 | K | Relay (... Calculated Property |
| Tfus | 261.80 | K | Relay (... Calculated Property |
| Vc | 0.623 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [411.87; 468.87] | J/mol×K | [594.74; 770.31] |
|
| Cp,gas | 411.87 | J/mol×K | 594.74 | Joback Calculated Property |
| Cp,gas | 422.53 | J/mol×K | 624.00 | Joback Calculated Property |
| Cp,gas | 432.72 | J/mol×K | 653.26 | Joback Calculated Property |
| Cp,gas | 442.45 | J/mol×K | 682.53 | Joback Calculated Property |
| Cp,gas | 451.71 | J/mol×K | 711.79 | Joback Calculated Property |
| Cp,gas | 460.52 | J/mol×K | 741.05 | Joback Calculated Property |
| Cp,gas | 468.87 | J/mol×K | 770.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methylbut-3-enyl 2,3,4,5,6-pentafluorobenzoate.
Sources
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