- InChI
- InChI=1S/C15H19F2NO3/c1-8(2)7-21-15(20)10(4)18-14(19)12-11(16)6-5-9(3)13(12)17/h5-6,8,10H,7H2,1-4H3,(H,18,19)
- InChI Key
- GLJWBLUDHZJNCE-UHFFFAOYSA-N
- Formula
- C15H19F2NO3
- SMILES
-
Cc1ccc(F)c(C(=O)NC(C)C(=O)OCC(
C)C)c1F - Molecular Weight1
- 299.31
- 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 | 0.7235 | Relay (1.0) Calculated Property | |
| ΔfG° | -509.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -941.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.591 | Crippen Calculated Property | |
| McVol | 220.980 | ml/mol | McGowan Calculated Property |
| Pc | 1851.52 | kPa | Joback Calculated Property |
| Inp | 2052.00 | NIST | |
| Tboil | 585.04 | K | Relay (1.0) Calculated Property |
| Tc | 810.12 | K | Relay (1.0) Calculated Property |
| Tfus | 366.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.805 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [636.07; 704.59] | J/mol×K | [762.21; 961.93] | 
|
| Cp,gas | 636.07 | J/mol×K | 762.21 | Joback Calculated Property |
| Cp,gas | 649.68 | J/mol×K | 795.50 | Joback Calculated Property |
| Cp,gas | 662.39 | J/mol×K | 828.78 | Joback Calculated Property |
| Cp,gas | 674.23 | J/mol×K | 862.07 | Joback Calculated Property |
| Cp,gas | 685.20 | J/mol×K | 895.36 | Joback Calculated Property |
| Cp,gas | 695.31 | J/mol×K | 928.64 | Joback Calculated Property |
| Cp,gas | 704.59 | J/mol×K | 961.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-(2,6-difluoro-3-methylbenzoyl)-, isobutyl ester.
Sources
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