- InChI
- InChI=1S/C12H13F8NO4/c1-3-6(2)8(23)21(4-7(22)25-5-10(13,14)15)9(24)11(16,17)12(18,19)20/h6H,3-5H2,1-2H3
- InChI Key
- ZACCSENJPPFEDH-UHFFFAOYSA-N
- Formula
- C12H13F8NO4
- SMILES
-
CCC(C)C(=O)N(CC(=O)OCC(F)(F)F)
C(=O)C(F)(F)C(F)(F)F - Molecular Weight1
- 387.22
- 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 | 0.7154 | Relay (1.0) Calculated Property | |
| ΔfG° | -1883.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2504.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.691 | Crippen Calculated Property | |
| McVol | 214.660 | ml/mol | McGowan Calculated Property |
| Pc | 1606.42 | kPa | Joback Calculated Property |
| Inp | [1160.00; 1185.00] |
|
|
| Inp | 1160.00 | NIST | |
| Inp | 1175.00 | NIST | |
| Inp | 1185.00 | NIST | |
| Tboil | 483.16 | K | Relay (1.0) Calculated Property |
| Tc | 655.04 | K | Relay (1.0) Calculated Property |
| Tfus | 319.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.798 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [621.38; 680.26] | J/mol×K | [654.46; 816.77] |
|
| Cp,gas | 621.38 | J/mol×K | 654.46 | Joback Calculated Property |
| Cp,gas | 632.94 | J/mol×K | 681.51 | Joback Calculated Property |
| Cp,gas | 643.74 | J/mol×K | 708.56 | Joback Calculated Property |
| Cp,gas | 653.84 | J/mol×K | 735.61 | Joback Calculated Property |
| Cp,gas | 663.26 | J/mol×K | 762.66 | Joback Calculated Property |
| Cp,gas | 672.05 | J/mol×K | 789.72 | Joback Calculated Property |
| Cp,gas | 680.26 | J/mol×K | 816.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-methylbutyryl glycine, PFP-TFE.
Sources
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