- InChI
- InChI=1S/C30H46F5NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-39-27(37)26(24-25-21-18-17-19-22-25)36-28(38)29(31,32)30(33,34)35/h17-19,21-22,26H,2-16,20,23-24H2,1H3,(H,36,38)
- InChI Key
- UJNQVBXSVXIMAN-UHFFFAOYSA-N
- Formula
- C30H46F5NO3
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)C(Cc1c
cccc1)NC(=O)C(F)(F)C(F)(F)F - Molecular Weight1
- 563.68
- 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 | 1.2500 | Relay (1.0) Calculated Property | |
| ΔfG° | -930.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1880.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 74.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 139.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.716 | Crippen Calculated Property | |
| McVol | 437.640 | ml/mol | McGowan Calculated Property |
| Pc | 683.86 | kPa | Joback Calculated Property |
| Inp | 3235.00 | NIST | |
| Tboil | 688.62 | K | Relay (1.0) Calculated Property |
| Tc | 864.44 | K | Relay (1.0) Calculated Property |
| Tfus | 344.14 | K | Relay (1.0) Calculated Property |
| Vc | 1.603 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1562.91; 1671.86] | J/mol×K | [1082.26; 1355.09] | 
|
| Cp,gas | 1562.91 | J/mol×K | 1082.26 | Joback Calculated Property |
| Cp,gas | 1583.72 | J/mol×K | 1127.73 | Joback Calculated Property |
| Cp,gas | 1603.11 | J/mol×K | 1173.20 | Joback Calculated Property |
| Cp,gas | 1621.34 | J/mol×K | 1218.68 | Joback Calculated Property |
| Cp,gas | 1638.70 | J/mol×K | 1264.15 | Joback Calculated Property |
| Cp,gas | 1655.45 | J/mol×K | 1309.62 | Joback Calculated Property |
| Cp,gas | 1671.86 | J/mol×K | 1355.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Phenylalanine, n-pentafluoropropionyl-, octadecyl ester.
Sources
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