Chemical Properties of Benzene, 1-ethoxy-3-fluoro- (CAS 458-03-7)

InChI

InChI=1S/C8H9FO/c1-2-10-8-5-3-4-7(9)6-8/h3-6H,2H2,1H3

InChI Key

UWWCZZMOTBWUAB-UHFFFAOYSA-N

Formula

C8H9FO

SMILES

CCOc1cccc(F)c1

Molecular Weight¹

140.15

CAS

458-03-7

Other Names

• Phenetole, m-fluoro-

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[144.09; 336.06]	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			7.60100e+00
Coefficient B			5.74020e-01
Coefficient C			-2.80960e-04
Coefficient D			3.54000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	144.09	J/mol×K	273.00	Calculated Property
Cp,gas	177.08	J/mol×K	353.78	Calculated Property
Cp,gas	206.89	J/mol×K	434.56	Calculated Property
Cp,gas	233.64	J/mol×K	515.33	Calculated Property
Cp,gas	257.44	J/mol×K	596.11	Calculated Property
Cp,gas	278.40	J/mol×K	676.89	Calculated Property
Cp,gas	296.63	J/mol×K	757.67	Calculated Property
Cp,gas	312.24	J/mol×K	838.44	Calculated Property
Cp,gas	325.35	J/mol×K	919.22	Calculated Property
Cp,gas	336.06	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-ethoxy-3-fluoro-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.