- InChI
- InChI=1S/C11H12FNO2/c12-10-3-1-9(2-4-10)11(14)13-5-7-15-8-6-13/h1-4H,5-8H2
- InChI Key
- NDYMQOUYJJXCKJ-UHFFFAOYSA-N
- Formula
- C11H12FNO2
- SMILES
- O=C(c1ccc(F)cc1)N1CCOCC1
- Molecular Weight1
- 209.22
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.5233 | Relay (1.0) Calculated Property | |
| ΔfG° | -111.91 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -410.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 79.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.298 | Crippen Calculated Property | |
| McVol | 150.420 | ml/mol | McGowan Calculated Property |
| Pc | 2748.62 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1646.00; 1646.00] |
|
|
| Inp | 1646.00 | NIST | |
| Inp | 1646.00 | NIST | |
| Tboil | 595.00 | K | Relay (1.0) Calculated Property |
| Tc | 801.82 | K | Relay (1.0) Calculated Property |
| Tfus | 327.29 | K | Relay (1.0) Calculated Property |
| Vc | 0.541 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 4-Fluorobenzoic acid, morpholide.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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