- InChI
- InChI=1S/C29H48FNO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-34-29(33)27(24(2)3)31-28(32)25-19-21-26(30)22-20-25/h19-22,24,27H,4-18,23H2,1-3H3,(H,31,32)
- InChI Key
- BPLUKPYHSJHXNA-UHFFFAOYSA-N
- Formula
- C29H48FNO3
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)C(NC(=O
)c1ccc(F)cc1)C(C)C - Molecular Weight1
- 477.69
- 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 | 1.2301 | Relay (1.0) Calculated Property | |
| ΔfG° | -177.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1061.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 70.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 139.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.995 | Crippen Calculated Property | |
| McVol | 416.470 | ml/mol | McGowan Calculated Property |
| Pc | 774.61 | kPa | Joback Calculated Property |
| Inp | [3357.00; 3357.00] |
|
|
| Inp | 3357.00 | NIST | |
| Inp | 3357.00 | NIST | |
| Tboil | 690.81 | K | Relay (1.0) Calculated Property |
| Tc | 919.00 | K | Relay (1.0) Calculated Property |
| Tfus | 370.04 | K | Relay (1.0) Calculated Property |
| Vc | 1.530 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1472.57; 1559.49] | J/mol×K | [1073.30; 1327.12] |
|
| Cp,gas | 1472.57 | J/mol×K | 1073.30 | Joback Calculated Property |
| Cp,gas | 1491.24 | J/mol×K | 1115.60 | Joback Calculated Property |
| Cp,gas | 1508.07 | J/mol×K | 1157.91 | Joback Calculated Property |
| Cp,gas | 1523.19 | J/mol×K | 1200.21 | Joback Calculated Property |
| Cp,gas | 1536.71 | J/mol×K | 1242.52 | Joback Calculated Property |
| Cp,gas | 1548.77 | J/mol×K | 1284.82 | Joback Calculated Property |
| Cp,gas | 1559.49 | J/mol×K | 1327.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-(4-fluorobenzoyl)-, heptadecyl ester.
Sources
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