- InChI
- InChI=1S/C8H7FO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2
- InChI Key
- YOMBUJAFGMOIGS-UHFFFAOYSA-N
- Formula
- C8H7FO
- SMILES
- O=C(CF)c1ccccc1
- Molecular Weight1
- 138.14
- CAS
- 450-95-3
- 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).
- Pvap : Vapor 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 | 0.4215 | Relay (1.0) Calculated Property | |
| ΔfG° | -194.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -269.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.839 | Crippen Calculated Property | |
| McVol | 103.160 | ml/mol | McGowan Calculated Property |
| Pc | 3731.66 | kPa | Joback Calculated Property |
| Tboil | 481.76 | K | Relay (1.0) Calculated Property |
| Tc | 699.85 | K | Relay (1.0) Calculated Property |
| Tfus | 300.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.376 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [127.06; 309.62] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -2.48390e+01 | |||
| Coefficient B | 6.68700e-01 | |||
| Coefficient C | -4.40300e-04 | |||
| Coefficient D | 1.06060e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 127.06 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 161.32 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 191.31 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 217.35 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 239.79 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 258.95 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 275.18 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 288.82 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 300.18 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 309.62 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [370.78; 494.36] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 2.03858e+01 | |||
| Coefficient B | -7.45209e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Temperature range, min. | 370.78 | |||
| Temperature range, max. | 494.36 | |||
| Pvap | 1.33 | kPa | 370.78 | Calculated Property |
| Pvap | 2.73 | kPa | 384.51 | Calculated Property |
| Pvap | 5.33 | kPa | 398.24 | Calculated Property |
| Pvap | 9.94 | kPa | 411.97 | Calculated Property |
| Pvap | 17.82 | kPa | 425.70 | Calculated Property |
| Pvap | 30.80 | kPa | 439.44 | Calculated Property |
| Pvap | 51.49 | kPa | 453.17 | Calculated Property |
| Pvap | 83.51 | kPa | 466.90 | Calculated Property |
| Pvap | 131.75 | kPa | 480.63 | Calculated Property |
| Pvap | 202.67 | kPa | 494.36 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-fluoro-1-phenylethanone.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- The Yaws Handbook of Vapor Pressure
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