- InChI
- InChI=1S/C8H11FN2O2/c1-3-10-5-6(9)7(12)11(4-2)8(10)13/h5H,3-4H2,1-2H3
- InChI Key
- OBQZGHRMWAUWPE-UHFFFAOYSA-N
- Formula
- C8H11FN2O2
- SMILES
- CCn1cc(F)c(=O)n(CC)c1=O
- Molecular Weight1
- 186.18
- CAS
- 80115-67-9
- 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).
- 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 | 0.5774 | Relay (1.0) Calculated Property | |
| ΔfG° | -140.44 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -528.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 72.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.189 | Crippen Calculated Property | |
| McVol | 133.290 | ml/mol | McGowan Calculated Property |
| Pc | 2899.12 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 537.27 | K | Relay (1.0) Calculated Property |
| Tc | 734.44 | K | Relay (1.0) Calculated Property |
| Tfus | 375.44 | K | Relay (1.0) Calculated Property |
| Vc | 0.509 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Uracil, 1,3-diethyl-5-fluoro-.
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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