- InChI
- InChI=1S/C29H47F2NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-35-29(34)24(3)32-28(33)26-25(30)21-20-23(2)27(26)31/h20-21,24H,4-19,22H2,1-3H3,(H,32,33)
- InChI Key
- WGOPIBTWJGHGDP-UHFFFAOYSA-N
- Formula
- C29H47F2NO3
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)C(C)NC
(=O)c1c(F)ccc(C)c1F - Molecular Weight1
- 495.69
- 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 | 1.2830 | Relay (1.0) Calculated Property | |
| ΔfG° | -388.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1205.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 75.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 137.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.196 | Crippen Calculated Property | |
| McVol | 418.240 | ml/mol | McGowan Calculated Property |
| Pc | 740.03 | kPa | Joback Calculated Property |
| Inp | 3507.00 | NIST | |
| Tboil | 687.20 | K | Relay (1.0) Calculated Property |
| Tc | 926.16 | K | Relay (1.0) Calculated Property |
| Tfus | 370.93 | K | Relay (1.0) Calculated Property |
| Vc | 1.563 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1477.16; 1560.83] | J/mol×K | [1082.97; 1347.91] | 
|
| Cp,gas | 1477.16 | J/mol×K | 1082.97 | Joback Calculated Property |
| Cp,gas | 1495.89 | J/mol×K | 1127.13 | Joback Calculated Property |
| Cp,gas | 1512.55 | J/mol×K | 1171.28 | Joback Calculated Property |
| Cp,gas | 1527.25 | J/mol×K | 1215.44 | Joback Calculated Property |
| Cp,gas | 1540.12 | J/mol×K | 1259.60 | Joback Calculated Property |
| Cp,gas | 1551.27 | J/mol×K | 1303.75 | Joback Calculated Property |
| Cp,gas | 1560.83 | J/mol×K | 1347.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-(2,6-difluoro-3-methylbenzoyl)-, octadecyl ester.
Sources
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