- InChI
- InChI=1S/C20H30FNO3/c1-3-4-5-6-7-8-9-12-15-25-19(23)16-22(2)20(24)17-13-10-11-14-18(17)21/h10-11,13-14H,3-9,12,15-16H2,1-2H3
- InChI Key
- GQFJOLDNCFKLEE-UHFFFAOYSA-N
- Formula
- C20H30FNO3
- SMILES
-
CCCCCCCCCCOC(=O)CN(C)C(=O)c1cc
ccc1F - Molecular Weight1
- 351.46
- 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 | 0.9588 | Relay (1.0) Calculated Property | |
| ΔfG° | -226.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -822.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.582 | Crippen Calculated Property | |
| McVol | 289.660 | ml/mol | McGowan Calculated Property |
| Pc | 1312.75 | kPa | Joback Calculated Property |
| Inp | [2572.00; 2572.00] |
|
|
| Inp | 2572.00 | NIST | |
| Inp | 2572.00 | NIST | |
| Tboil | 635.74 | K | Relay (1.0) Calculated Property |
| Tc | 846.59 | K | Relay (1.0) Calculated Property |
| Tfus | 312.64 | K | Relay (1.0) Calculated Property |
| Vc | 1.083 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [897.87; 980.04] | J/mol×K | [830.53; 1025.47] |
|
| Cp,gas | 897.87 | J/mol×K | 830.53 | Joback Calculated Property |
| Cp,gas | 914.05 | J/mol×K | 863.02 | Joback Calculated Property |
| Cp,gas | 929.19 | J/mol×K | 895.51 | Joback Calculated Property |
| Cp,gas | 943.31 | J/mol×K | 928.00 | Joback Calculated Property |
| Cp,gas | 956.47 | J/mol×K | 960.49 | Joback Calculated Property |
| Cp,gas | 968.70 | J/mol×K | 992.98 | Joback Calculated Property |
| Cp,gas | 980.04 | J/mol×K | 1025.47 | Joback Calculated Property |
Similar Compounds
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Sources
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