- InChI
- InChI=1S/C30H50FNO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-35-30(34)28(25(2)3)32-29(33)26-20-22-27(31)23-21-26/h20-23,25,28H,4-19,24H2,1-3H3,(H,32,33)
- InChI Key
- FKUIILACOJINNC-UHFFFAOYSA-N
- Formula
- C30H50FNO3
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)C(NC(=
O)c1ccc(F)cc1)C(C)C - Molecular Weight1
- 491.72
- 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 | 1.2659 | Relay (1.0) Calculated Property | |
| ΔfG° | -168.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1082.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 72.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 143.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.385 | Crippen Calculated Property | |
| McVol | 430.560 | ml/mol | McGowan Calculated Property |
| Pc | 734.82 | kPa | Joback Calculated Property |
| Inp | [3459.00; 3459.00] |
|
|
| Inp | 3459.00 | NIST | |
| Inp | 3459.00 | NIST | |
| Tboil | 697.48 | K | Relay (1.0) Calculated Property |
| Tc | 925.46 | K | Relay (1.0) Calculated Property |
| Tfus | 370.92 | K | Relay (1.0) Calculated Property |
| Vc | 1.584 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1536.44; 1624.98] | J/mol×K | [1096.18; 1361.73] |
|
| Cp,gas | 1536.44 | J/mol×K | 1096.18 | Joback Calculated Property |
| Cp,gas | 1555.67 | J/mol×K | 1140.44 | Joback Calculated Property |
| Cp,gas | 1572.91 | J/mol×K | 1184.70 | Joback Calculated Property |
| Cp,gas | 1588.31 | J/mol×K | 1228.96 | Joback Calculated Property |
| Cp,gas | 1602.02 | J/mol×K | 1273.21 | Joback Calculated Property |
| Cp,gas | 1614.20 | J/mol×K | 1317.47 | Joback Calculated Property |
| Cp,gas | 1624.98 | J/mol×K | 1361.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-(4-fluorobenzoyl)-, octadecyl ester.
Sources
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