- InChI
- InChI=1S/C12H9FO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H
- InChI Key
- AODSTUBSNYVSSL-UHFFFAOYSA-N
- Formula
- C12H9FO
- SMILES
- Fc1ccc(Oc2ccccc2)cc1
- Molecular Weight1
- 188.20
- CAS
- 330-84-7
- Other Names
-
- Benzene, 1-fluoro-4-phenoxy-
- 1-fluoro-4-phenoxybenzene
- 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 | 0.4570 | Relay (1.0) Calculated Property | |
| ΔfG° | -34.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -149.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.618 | Crippen Calculated Property | |
| McVol | 140.060 | ml/mol | McGowan Calculated Property |
| Pc | 3138.51 | kPa | Joback Calculated Property |
| Tboil | 528.84 | K | Relay (1.0) Calculated Property |
| Tc | 779.62 | K | Relay (1.0) Calculated Property |
| Tfus | 282.33 | K | Relay (1.0) Calculated Property |
| Vc | 0.518 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [171.69; 423.90] | 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 | -2.99400e+01 | |||
| Coefficient B | 8.75100e-01 | |||
| Coefficient C | -5.29760e-04 | |||
| Coefficient D | 1.08500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 171.69 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 218.15 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 259.20 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 295.19 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 326.45 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 353.33 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 376.17 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 395.32 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 411.11 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 423.90 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Fluorodiphenyl ether.
Sources
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