- InChI
- InChI=1S/C28H46FNO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-33-28(32)26(23(2)3)30-27(31)24-18-20-25(29)21-19-24/h18-21,23,26H,4-17,22H2,1-3H3,(H,30,31)
- InChI Key
- DPQBIKYAZPIVHY-UHFFFAOYSA-N
- Formula
- C28H46FNO3
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)C(NC(=O)
c1ccc(F)cc1)C(C)C - Molecular Weight1
- 463.67
- 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 | 1.1943 | Relay (1.0) Calculated Property | |
| ΔfG° | -185.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1041.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 67.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 135.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.605 | Crippen Calculated Property | |
| McVol | 402.380 | ml/mol | McGowan Calculated Property |
| Pc | 817.73 | kPa | Joback Calculated Property |
| Inp | [3253.00; 3253.00] |
|
|
| Inp | 3253.00 | NIST | |
| Inp | 3253.00 | NIST | |
| Tboil | 684.05 | K | Relay (1.0) Calculated Property |
| Tc | 912.44 | K | Relay (1.0) Calculated Property |
| Tfus | 369.16 | K | Relay (1.0) Calculated Property |
| Vc | 1.476 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1409.01; 1494.48] | J/mol×K | [1050.42; 1293.97] |
|
| Cp,gas | 1409.01 | J/mol×K | 1050.42 | Joback Calculated Property |
| Cp,gas | 1427.18 | J/mol×K | 1091.01 | Joback Calculated Property |
| Cp,gas | 1443.64 | J/mol×K | 1131.60 | Joback Calculated Property |
| Cp,gas | 1458.50 | J/mol×K | 1172.20 | Joback Calculated Property |
| Cp,gas | 1471.85 | J/mol×K | 1212.79 | Joback Calculated Property |
| Cp,gas | 1483.81 | J/mol×K | 1253.38 | Joback Calculated Property |
| Cp,gas | 1494.48 | J/mol×K | 1293.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-(4-fluorobenzoyl)-, hexadecyl ester.
Sources
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