- InChI
- InChI=1S/C22H28F7NO3/c1-2-3-4-5-6-7-11-14-33-18(31)17(15-16-12-9-8-10-13-16)30-19(32)20(23,24)21(25,26)22(27,28)29/h8-10,12-13,17H,2-7,11,14-15H2,1H3,(H,30,32)
- InChI Key
- LCYCKEDIQPLGIT-UHFFFAOYSA-N
- Formula
- C22H28F7NO3
- SMILES
-
CCCCCCCCCOC(=O)C(Cc1ccccc1)NC(
=O)C(F)(F)C(F)(F)C(F)(F)F - Molecular Weight1
- 487.45
- 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 | 0.9521 | Relay (1.0) Calculated Property | |
| ΔfG° | -1384.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2118.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.841 | Crippen Calculated Property | |
| McVol | 328.460 | ml/mol | McGowan Calculated Property |
| Pc | 1022.69 | kPa | Joback Calculated Property |
| Inp | 2191.00 | NIST | |
| Tboil | 630.02 | K | Relay (1.0) Calculated Property |
| Tc | 785.98 | K | Relay (1.0) Calculated Property |
| Tfus | 319.69 | K | Relay (1.0) Calculated Property |
| Vc | 1.191 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1080.75; 1155.95] | J/mol×K | [894.53; 1095.21] | 
|
| Cp,gas | 1080.75 | J/mol×K | 894.53 | Joback Calculated Property |
| Cp,gas | 1095.36 | J/mol×K | 927.98 | Joback Calculated Property |
| Cp,gas | 1109.00 | J/mol×K | 961.42 | Joback Calculated Property |
| Cp,gas | 1121.78 | J/mol×K | 994.87 | Joback Calculated Property |
| Cp,gas | 1133.79 | J/mol×K | 1028.32 | Joback Calculated Property |
| Cp,gas | 1145.15 | J/mol×K | 1061.77 | Joback Calculated Property |
| Cp,gas | 1155.95 | J/mol×K | 1095.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Phenylalanine, n-heptafluorobutyryl-, nonyl ester.
Sources
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