- InChI
- InChI=1S/C13H8F3NO/c14-8-1-4-10(5-2-8)17-13(18)11-7-9(15)3-6-12(11)16/h1-7H,(H,17,18)
- InChI Key
- HQZKCYGACAITQH-UHFFFAOYSA-N
- Formula
- C13H8F3NO
- SMILES
- O=C(Nc1ccc(F)cc1)c1cc(F)ccc1F
- Molecular Weight1
- 251.20
- 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 | 0.6270 | Relay (1.0) Calculated Property | |
| ΔfG° | -369.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -503.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.356 | Crippen Calculated Property | |
| McVol | 163.370 | ml/mol | McGowan Calculated Property |
| Pc | 2746.90 | kPa | Joback Calculated Property |
| Inp | 1879.00 | NIST | |
| Tboil | 594.39 | K | Relay (1.0) Calculated Property |
| Tc | 888.36 | K | Relay (1.0) Calculated Property |
| Tfus | 409.45 | K | Relay (1.0) Calculated Property |
| Vc | 0.603 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [411.76; 470.60] | J/mol×K | [666.99; 885.90] | 
|
| Cp,gas | 411.76 | J/mol×K | 666.99 | Joback Calculated Property |
| Cp,gas | 423.65 | J/mol×K | 703.47 | Joback Calculated Property |
| Cp,gas | 434.65 | J/mol×K | 739.96 | Joback Calculated Property |
| Cp,gas | 444.80 | J/mol×K | 776.44 | Joback Calculated Property |
| Cp,gas | 454.15 | J/mol×K | 812.93 | Joback Calculated Property |
| Cp,gas | 462.74 | J/mol×K | 849.41 | Joback Calculated Property |
| Cp,gas | 470.60 | J/mol×K | 885.90 | Joback Calculated Property |
Similar Compounds
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Sources
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