- InChI
- InChI=1S/C8H4F5NO/c9-4-2(1-3(14)15)5(10)7(12)8(13)6(4)11/h1H2,(H2,14,15)
- InChI Key
- DGTVZQUNYUHWBK-UHFFFAOYSA-N
- Formula
- C8H4F5NO
- SMILES
- NC(=O)Cc1c(F)c(F)c(F)c(F)c1F
- Molecular Weight1
- 225.12
- CAS
- 653-20-3
- 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).
- 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 | 0.6338 | Relay (1.0) Calculated Property | |
| ΔfG° | -955.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -953.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.410 | Crippen Calculated Property | |
| McVol | 120.220 | ml/mol | McGowan Calculated Property |
| Pc | 2969.80 | kPa | Joback Calculated Property |
| Tboil | 486.01 | K | Relay (1.0) Calculated Property |
| Tc | 696.26 | K | Relay (1.0) Calculated Property |
| Tfus | 374.66 | K | Relay (1.0) Calculated Property |
| Vc | 0.446 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [281.14; 322.34] | J/mol×K | [556.77; 743.15] | 
|
| Cp,gas | 281.14 | J/mol×K | 556.77 | Joback Calculated Property |
| Cp,gas | 288.90 | J/mol×K | 587.83 | Joback Calculated Property |
| Cp,gas | 296.31 | J/mol×K | 618.90 | Joback Calculated Property |
| Cp,gas | 303.35 | J/mol×K | 649.96 | Joback Calculated Property |
| Cp,gas | 310.03 | J/mol×K | 681.02 | Joback Calculated Property |
| Cp,gas | 316.36 | J/mol×K | 712.08 | Joback Calculated Property |
| Cp,gas | 322.34 | J/mol×K | 743.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-(Pentafluorophenyl)acetamide.
Sources
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