- InChI
- InChI=1S/C28H45ClFNO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-34-28(33)26(22(2)3)31-27(32)23-19-18-20-24(29)25(23)30/h18-20,22,26H,4-17,21H2,1-3H3,(H,31,32)
- InChI Key
- QQBWPQXGUITAQF-UHFFFAOYSA-N
- Formula
- C28H45ClFNO3
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)C(NC(=O)
c1cccc(Cl)c1F)C(C)C - Molecular Weight1
- 498.11
- 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 | 1.2180 | Relay (1.0) Calculated Property | |
| ΔfG° | -207.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1038.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 71.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 136.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.258 | Crippen Calculated Property | |
| McVol | 414.620 | ml/mol | McGowan Calculated Property |
| Pc | 793.94 | kPa | Joback Calculated Property |
| Inp | [3451.00; 3451.00] |
|
|
| Inp | 3451.00 | NIST | |
| Inp | 3451.00 | NIST | |
| Tboil | 685.54 | K | Relay (1.0) Calculated Property |
| Tc | 934.00 | K | Relay (1.0) Calculated Property |
| Tfus | 376.04 | K | Relay (1.0) Calculated Property |
| Vc | 1.511 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1432.50; 1509.34] | J/mol×K | [1092.83; 1350.59] |
|
| Cp,gas | 1432.50 | J/mol×K | 1092.83 | Joback Calculated Property |
| Cp,gas | 1449.45 | J/mol×K | 1135.79 | Joback Calculated Property |
| Cp,gas | 1464.58 | J/mol×K | 1178.75 | Joback Calculated Property |
| Cp,gas | 1478.02 | J/mol×K | 1221.71 | Joback Calculated Property |
| Cp,gas | 1489.88 | J/mol×K | 1264.67 | Joback Calculated Property |
| Cp,gas | 1500.28 | J/mol×K | 1307.63 | Joback Calculated Property |
| Cp,gas | 1509.34 | J/mol×K | 1350.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-(3-chloro-2-fluorobenzoyl)-, hexadecyl ester.
Sources
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