- InChI
- InChI=1S/C15H14F7NO3/c1-2-26-11(24)10(8-9-6-4-3-5-7-9)23-12(25)13(16,17)14(18,19)15(20,21)22/h3-7,10H,2,8H2,1H3,(H,23,25)
- InChI Key
- CCMIJEFRAULLGD-UHFFFAOYSA-N
- Formula
- C15H14F7NO3
- SMILES
-
CCOC(=O)C(Cc1ccccc1)NC(=O)C(F)
(F)C(F)(F)C(F)(F)F - Molecular Weight1
- 389.27
- 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 | 0.6577 | Relay (1.0) Calculated Property | |
| ΔfG° | -1443.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1975.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.110 | Crippen Calculated Property | |
| McVol | 229.830 | ml/mol | McGowan Calculated Property |
| Pc | 1659.19 | kPa | Joback Calculated Property |
| Inp | 1568.00 | NIST | |
| Tboil | 552.78 | K | Relay (1.0) Calculated Property |
| Tc | 717.85 | K | Relay (1.0) Calculated Property |
| Tfus | 315.14 | K | Relay (1.0) Calculated Property |
| Vc | 0.820 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [684.37; 744.18] | J/mol×K | [734.37; 920.79] | 
|
| Cp,gas | 684.37 | J/mol×K | 734.37 | Joback Calculated Property |
| Cp,gas | 696.40 | J/mol×K | 765.44 | Joback Calculated Property |
| Cp,gas | 707.50 | J/mol×K | 796.51 | Joback Calculated Property |
| Cp,gas | 717.76 | J/mol×K | 827.58 | Joback Calculated Property |
| Cp,gas | 727.25 | J/mol×K | 858.65 | Joback Calculated Property |
| Cp,gas | 736.03 | J/mol×K | 889.72 | Joback Calculated Property |
| Cp,gas | 744.18 | J/mol×K | 920.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Phenylalanine, n-heptafluorobutyryl-, ethyl ester.
Sources
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