- InChI
- InChI=1S/C24H32F7NO3/c1-2-3-4-5-6-7-8-9-13-16-35-20(33)19(17-18-14-11-10-12-15-18)32-21(34)22(25,26)23(27,28)24(29,30)31/h10-12,14-15,19H,2-9,13,16-17H2,1H3,(H,32,34)
- InChI Key
- DEVCZRFCLVHFTP-UHFFFAOYSA-N
- Formula
- C24H32F7NO3
- SMILES
-
CCCCCCCCCCCOC(=O)C(Cc1ccccc1)N
C(=O)C(F)(F)C(F)(F)C(F)(F)F - Molecular Weight1
- 515.50
- 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° | -1367.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2010.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.64 | kJ/mol | Joback Calculated Property |
| log10WS | -8.20 | Crippen Calculated Property | |
| logPoct/wat | 6.621 | Crippen Calculated Property | |
| McVol | 356.640 | ml/mol | McGowan Calculated Property |
| Pc | 907.79 | kPa | Joback Calculated Property |
| Inp | 2391.00 | NIST | |
| Tboil | 940.29 | K | Joback Calculated Property |
| Tc | 1152.56 | K | Joback Calculated Property |
| Tfus | 557.80 | K | Joback Calculated Property |
| Vc | 1.423 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1200.92; 1282.57] | J/mol×K | [940.29; 1152.56] | 
|
| Cp,gas | 1200.92 | J/mol×K | 940.29 | Joback Calculated Property |
| Cp,gas | 1216.64 | J/mol×K | 975.67 | Joback Calculated Property |
| Cp,gas | 1231.34 | J/mol×K | 1011.05 | Joback Calculated Property |
| Cp,gas | 1245.15 | J/mol×K | 1046.43 | Joback Calculated Property |
| Cp,gas | 1258.21 | J/mol×K | 1081.80 | Joback Calculated Property |
| Cp,gas | 1270.64 | J/mol×K | 1117.18 | Joback Calculated Property |
| Cp,gas | 1282.57 | J/mol×K | 1152.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Phenylalanine, n-heptafluorobutyryl-, undecyl ester.
Sources
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