- InChI
- InChI=1S/C18H23F4NO3/c1-3-4-5-6-7-10-26-17(25)12(2)23-16(24)14-9-8-13(19)11-15(14)18(20,21)22/h8-9,11-12H,3-7,10H2,1-2H3,(H,23,24)
- InChI Key
- KIQJGUIUWRDKSY-UHFFFAOYSA-N
- Formula
- C18H23F4NO3
- SMILES
-
CCCCCCCOC(=O)C(C)NC(=O)c1ccc(F
)cc1C(F)(F)F - Molecular Weight1
- 377.37
- 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 | 0.8756 | Relay (1.0) Calculated Property | |
| ΔfG° | -858.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1453.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.476 | Crippen Calculated Property | |
| McVol | 266.790 | ml/mol | McGowan Calculated Property |
| Pc | 1396.46 | kPa | Joback Calculated Property |
| Inp | 2145.00 | NIST | |
| Tboil | 607.20 | K | Relay (1.0) Calculated Property |
| Tc | 817.83 | K | Relay (1.0) Calculated Property |
| Tfus | 349.28 | K | Relay (1.0) Calculated Property |
| Vc | 0.975 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [821.61; 891.31] | J/mol×K | [821.62; 1014.57] | 
|
| Cp,gas | 821.61 | J/mol×K | 821.62 | Joback Calculated Property |
| Cp,gas | 835.44 | J/mol×K | 853.78 | Joback Calculated Property |
| Cp,gas | 848.33 | J/mol×K | 885.94 | Joback Calculated Property |
| Cp,gas | 860.32 | J/mol×K | 918.10 | Joback Calculated Property |
| Cp,gas | 871.45 | J/mol×K | 950.26 | Joback Calculated Property |
| Cp,gas | 881.77 | J/mol×K | 982.42 | Joback Calculated Property |
| Cp,gas | 891.31 | J/mol×K | 1014.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, heptyl ester.
Sources
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