- InChI
- InChI=1S/C24H34F5NO3/c1-2-3-4-5-6-7-8-9-10-14-17-33-21(31)20(18-19-15-12-11-13-16-19)30-22(32)23(25,26)24(27,28)29/h11-13,15-16,20H,2-10,14,17-18H2,1H3,(H,30,32)
- InChI Key
- NJMPKMAKZGSKSM-UHFFFAOYSA-N
- Formula
- C24H34F5NO3
- SMILES
-
CCCCCCCCCCCCOC(=O)C(Cc1ccccc1)
NC(=O)C(F)(F)C(F)(F)F - Molecular Weight1
- 479.52
- 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° | -980.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1609.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 58.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.57 | kJ/mol | Joback Calculated Property |
| log10WS | -7.89 | Crippen Calculated Property | |
| logPoct/wat | 6.376 | Crippen Calculated Property | |
| McVol | 353.100 | ml/mol | McGowan Calculated Property |
| Pc | 947.91 | kPa | Joback Calculated Property |
| Inp | 2475.00 | NIST | |
| Tboil | 944.98 | K | Joback Calculated Property |
| Tc | 1157.56 | K | Joback Calculated Property |
| Tfus | 554.20 | K | Joback Calculated Property |
| Vc | 1.399 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1186.76; 1268.84] | J/mol×K | [944.98; 1157.56] | 
|
| Cp,gas | 1186.76 | J/mol×K | 944.98 | Joback Calculated Property |
| Cp,gas | 1202.83 | J/mol×K | 980.41 | Joback Calculated Property |
| Cp,gas | 1217.81 | J/mol×K | 1015.84 | Joback Calculated Property |
| Cp,gas | 1231.78 | J/mol×K | 1051.27 | Joback Calculated Property |
| Cp,gas | 1244.88 | J/mol×K | 1086.70 | Joback Calculated Property |
| Cp,gas | 1257.19 | J/mol×K | 1122.13 | Joback Calculated Property |
| Cp,gas | 1268.84 | J/mol×K | 1157.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Phenylalanine, n-pentafluoropropionyl-, dodecyl ester.
Sources
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