- InChI
- InChI=1S/C18H28FNO/c1-4-6-8-10-15(3)20(13-7-5-2)18(21)16-11-9-12-17(19)14-16/h9,11-12,14-15H,4-8,10,13H2,1-3H3
- InChI Key
- JMSFUHWYRKFTKX-UHFFFAOYSA-N
- Formula
- C18H28FNO
- SMILES
-
CCCCCC(C)N(CCCC)C(=O)c1cccc(F)
c1 - Molecular Weight1
- 293.42
- 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 | 0.7469 | Relay (1.0) Calculated Property | |
| ΔfG° | -11.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -488.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.037 | Crippen Calculated Property | |
| McVol | 254.040 | ml/mol | McGowan Calculated Property |
| Pc | 1472.49 | kPa | Joback Calculated Property |
| Inp | [2363.00; 2363.00] |
|
|
| Inp | 2363.00 | NIST | |
| Inp | 2363.00 | NIST | |
| Tboil | 607.03 | K | Relay (1.0) Calculated Property |
| Tc | 801.61 | K | Relay (1.0) Calculated Property |
| Tfus | 272.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.922 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [730.17; 822.72] | J/mol×K | [708.04; 896.39] |
|
| Cp,gas | 730.17 | J/mol×K | 708.04 | Joback Calculated Property |
| Cp,gas | 747.95 | J/mol×K | 739.43 | Joback Calculated Property |
| Cp,gas | 764.73 | J/mol×K | 770.82 | Joback Calculated Property |
| Cp,gas | 780.55 | J/mol×K | 802.22 | Joback Calculated Property |
| Cp,gas | 795.46 | J/mol×K | 833.61 | Joback Calculated Property |
| Cp,gas | 809.50 | J/mol×K | 865.00 | Joback Calculated Property |
| Cp,gas | 822.72 | J/mol×K | 896.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-fluoro-N-butyl-N-hept-2-yl-.
Sources
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