- InChI
- InChI=1S/C17H18F11NO6/c18-14(19,20)8-34-11(31)6-4-2-1-3-5-10(30)29(7-12(32)35-9-15(21,22)23)13(33)16(24,25)17(26,27)28/h1-9H2
- InChI Key
- HVESCCCCIMTAHN-UHFFFAOYSA-N
- Formula
- C17H18F11NO6
- SMILES
-
O=C(CCCCCCC(=O)N(CC(=O)OCC(F)(
F)F)C(=O)C(F)(F)C(F)(F)F)OCC(F )(F)F - Molecular Weight1
- 541.31
- 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 | 1.0555 | Relay (1.0) Calculated Property | |
| ΔfG° | -2654.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3479.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.091 | Crippen Calculated Property | |
| McVol | 297.860 | ml/mol | McGowan Calculated Property |
| Pc | 1072.87 | kPa | Joback Calculated Property |
| Inp | [1697.00; 1697.00] |
|
|
| Inp | 1697.00 | NIST | |
| Inp | 1697.00 | NIST | |
| Tboil | 567.22 | K | Relay (1.0) Calculated Property |
| Tc | 731.05 | K | Relay (1.0) Calculated Property |
| Tfus | 361.26 | K | Relay (1.0) Calculated Property |
| Vc | 1.140 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [959.75; 1018.94] | J/mol×K | [840.17; 1030.52] |
|
| Cp,gas | 959.75 | J/mol×K | 840.17 | Joback Calculated Property |
| Cp,gas | 971.62 | J/mol×K | 871.90 | Joback Calculated Property |
| Cp,gas | 982.59 | J/mol×K | 903.62 | Joback Calculated Property |
| Cp,gas | 992.72 | J/mol×K | 935.35 | Joback Calculated Property |
| Cp,gas | 1002.10 | J/mol×K | 967.07 | Joback Calculated Property |
| Cp,gas | 1010.81 | J/mol×K | 998.80 | Joback Calculated Property |
| Cp,gas | 1018.94 | J/mol×K | 1030.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to suberyl glycine, PFP-TFE.
Sources
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