- InChI
- InChI=1S/C27H44FNO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-32-27(31)25(22(2)3)29-26(30)23-17-19-24(28)20-18-23/h17-20,22,25H,4-16,21H2,1-3H3,(H,29,30)
- InChI Key
- LEBDECNEEBYPME-UHFFFAOYSA-N
- Formula
- C27H44FNO3
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)C(NC(=O)c
1ccc(F)cc1)C(C)C - Molecular Weight1
- 449.64
- 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 | 1.1582 | Relay (1.0) Calculated Property | |
| ΔfG° | -193.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1020.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 64.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 131.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.215 | Crippen Calculated Property | |
| McVol | 388.290 | ml/mol | McGowan Calculated Property |
| Pc | 864.54 | kPa | Joback Calculated Property |
| Inp | [3153.00; 3153.00] |
|
|
| Inp | 3153.00 | NIST | |
| Inp | 3153.00 | NIST | |
| Tboil | 677.23 | K | Relay (1.0) Calculated Property |
| Tc | 905.79 | K | Relay (1.0) Calculated Property |
| Tfus | 368.15 | K | Relay (1.0) Calculated Property |
| Vc | 1.421 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1345.79; 1429.97] | J/mol×K | [1027.54; 1262.18] |
|
| Cp,gas | 1345.79 | J/mol×K | 1027.54 | Joback Calculated Property |
| Cp,gas | 1363.51 | J/mol×K | 1066.65 | Joback Calculated Property |
| Cp,gas | 1379.64 | J/mol×K | 1105.75 | Joback Calculated Property |
| Cp,gas | 1394.26 | J/mol×K | 1144.86 | Joback Calculated Property |
| Cp,gas | 1407.46 | J/mol×K | 1183.96 | Joback Calculated Property |
| Cp,gas | 1419.33 | J/mol×K | 1223.07 | Joback Calculated Property |
| Cp,gas | 1429.97 | J/mol×K | 1262.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-(4-fluorobenzoyl)-, pentadecyl ester.
Sources
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