- InChI
- InChI=1S/C13H15F8NO4/c1-2-3-4-5-8(23)22(6-9(24)26-7-11(14,15)16)10(25)12(17,18)13(19,20)21/h2-7H2,1H3
- InChI Key
- HJCYPTXJAGTRKZ-UHFFFAOYSA-N
- Formula
- C13H15F8NO4
- SMILES
-
CCCCCC(=O)N(CC(=O)OCC(F)(F)F)C
(=O)C(F)(F)C(F)(F)F - Molecular Weight1
- 401.25
- 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 | 0.7960 | Relay (1.0) Calculated Property | |
| ΔfG° | -1872.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2513.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.225 | Crippen Calculated Property | |
| McVol | 228.750 | ml/mol | McGowan Calculated Property |
| Pc | 1480.43 | kPa | Joback Calculated Property |
| Inp | 1293.00 | NIST | |
| Tboil | 509.70 | K | Relay (1.0) Calculated Property |
| Tc | 667.91 | K | Relay (1.0) Calculated Property |
| Tfus | 313.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.861 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [672.88; 733.61] | J/mol×K | [677.78; 839.75] | 
|
| Cp,gas | 672.88 | J/mol×K | 677.78 | Joback Calculated Property |
| Cp,gas | 684.74 | J/mol×K | 704.77 | Joback Calculated Property |
| Cp,gas | 695.85 | J/mol×K | 731.77 | Joback Calculated Property |
| Cp,gas | 706.24 | J/mol×K | 758.76 | Joback Calculated Property |
| Cp,gas | 715.98 | J/mol×K | 785.76 | Joback Calculated Property |
| Cp,gas | 725.08 | J/mol×K | 812.75 | Joback Calculated Property |
| Cp,gas | 733.61 | J/mol×K | 839.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to hexanoyl glycine, PFP-TFE.
Sources
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