- InChI
- InChI=1S/C17H23F2NO3/c1-4-5-6-7-10-23-17(22)12(3)20-16(21)14-13(18)9-8-11(2)15(14)19/h8-9,12H,4-7,10H2,1-3H3,(H,20,21)
- InChI Key
- PYJOGUVBBFDTNK-UHFFFAOYSA-N
- Formula
- C17H23F2NO3
- SMILES
-
CCCCCCOC(=O)C(C)NC(=O)c1c(F)cc
c(C)c1F - Molecular Weight1
- 327.37
- 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 | 0.8382 | Relay (1.0) Calculated Property | |
| ΔfG° | -489.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -961.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.515 | Crippen Calculated Property | |
| McVol | 249.160 | ml/mol | McGowan Calculated Property |
| Pc | 1569.72 | kPa | Joback Calculated Property |
| Inp | 2283.00 | NIST | |
| Tboil | 602.77 | K | Relay (1.0) Calculated Property |
| Tc | 834.03 | K | Relay (1.0) Calculated Property |
| Tfus | 351.28 | K | Relay (1.0) Calculated Property |
| Vc | 0.912 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [747.22; 818.23] | J/mol×K | [808.41; 1004.93] | 
|
| Cp,gas | 747.22 | J/mol×K | 808.41 | Joback Calculated Property |
| Cp,gas | 761.35 | J/mol×K | 841.16 | Joback Calculated Property |
| Cp,gas | 774.53 | J/mol×K | 873.92 | Joback Calculated Property |
| Cp,gas | 786.80 | J/mol×K | 906.67 | Joback Calculated Property |
| Cp,gas | 798.15 | J/mol×K | 939.43 | Joback Calculated Property |
| Cp,gas | 808.62 | J/mol×K | 972.18 | Joback Calculated Property |
| Cp,gas | 818.23 | J/mol×K | 1004.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-(2,6-difluoro-3-methylbenzoyl)-, hexyl ester.
Sources
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