- InChI
- InChI=1S/C27H43F2NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-33-27(32)22(3)30-26(31)24-23(28)19-18-21(2)25(24)29/h18-19,22H,4-17,20H2,1-3H3,(H,30,31)
- InChI Key
- ZMRFLEFXODCPEW-UHFFFAOYSA-N
- Formula
- C27H43F2NO3
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)C(C)NC(=
O)c1c(F)ccc(C)c1F - Molecular Weight1
- 467.63
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -405.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1099.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 70.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.27 | kJ/mol | Joback Calculated Property |
| log10WS | -9.46 | Crippen Calculated Property | |
| logPoct/wat | 7.416 | Crippen Calculated Property | |
| McVol | 390.060 | ml/mol | McGowan Calculated Property |
| Pc | 823.84 | kPa | Joback Calculated Property |
| Inp | 3301.00 | NIST | |
| Tboil | 1037.21 | K | Joback Calculated Property |
| Tc | 1279.32 | K | Joback Calculated Property |
| Tfus | 618.96 | K | Joback Calculated Property |
| Vc | 1.534 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1350.67; 1432.28] | J/mol×K | [1037.21; 1279.32] | 
|
| Cp,gas | 1350.67 | J/mol×K | 1037.21 | Joback Calculated Property |
| Cp,gas | 1368.35 | J/mol×K | 1077.56 | Joback Calculated Property |
| Cp,gas | 1384.29 | J/mol×K | 1117.91 | Joback Calculated Property |
| Cp,gas | 1398.57 | J/mol×K | 1158.26 | Joback Calculated Property |
| Cp,gas | 1411.28 | J/mol×K | 1198.61 | Joback Calculated Property |
| Cp,gas | 1422.49 | J/mol×K | 1238.97 | Joback Calculated Property |
| Cp,gas | 1432.28 | J/mol×K | 1279.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-(2,6-difluoro-3-methylbenzoyl)-, hexadecyl ester.
Sources
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