- InChI
- InChI=1S/C12H11F8NO4/c1-6(2)3-7(22)21(4-8(23)25-5-10(13,14)15)9(24)11(16,17)12(18,19)20/h3H,4-5H2,1-2H3
- InChI Key
- IKVUIVMODUOYBG-UHFFFAOYSA-N
- Formula
- C12H11F8NO4
- SMILES
-
CC(C)=CC(=O)N(CC(=O)OCC(F)(F)F
)C(=O)C(F)(F)C(F)(F)F - Molecular Weight1
- 385.21
- 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 | 0.7029 | Relay (1.0) Calculated Property | |
| ΔfG° | -1809.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2408.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.611 | Crippen Calculated Property | |
| McVol | 210.360 | ml/mol | McGowan Calculated Property |
| Pc | 1671.43 | kPa | Joback Calculated Property |
| Inp | 1247.00 | NIST | |
| Tboil | 501.47 | K | Relay (1.0) Calculated Property |
| Tc | 672.43 | K | Relay (1.0) Calculated Property |
| Tfus | 339.46 | K | Relay (1.0) Calculated Property |
| Vc | 0.774 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [598.61; 653.54] | J/mol×K | [658.94; 825.22] | 
|
| Cp,gas | 598.61 | J/mol×K | 658.94 | Joback Calculated Property |
| Cp,gas | 609.48 | J/mol×K | 686.65 | Joback Calculated Property |
| Cp,gas | 619.59 | J/mol×K | 714.37 | Joback Calculated Property |
| Cp,gas | 629.01 | J/mol×K | 742.08 | Joback Calculated Property |
| Cp,gas | 637.77 | J/mol×K | 769.79 | Joback Calculated Property |
| Cp,gas | 645.93 | J/mol×K | 797.51 | Joback Calculated Property |
| Cp,gas | 653.54 | J/mol×K | 825.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-methylcrotonyl glycine, PFP-TFE.
Sources
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