Chemical Properties of Pentafluoroanisole

InChI

InChI=1S/C7H3F5O/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3

InChI Key

ZRQUIRABLIQJRI-UHFFFAOYSA-N

Formula

C7H3F5O

SMILES

COc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

198.09

Other Names

• Pentafluoroanisole
• 2,3,4,5,6-Pentafluoroanisole
• Anisole, 2,3,4,5,6-pentafluoro-
• Methyl pentafluorophenyl ether
• Pentafluorophenyl methyl ether

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• EA : Electron affinity (eV).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
EA	0.54 ± 0.09	eV	NIST
ΔfusH°	22.57	kJ/mol	Joback Calculated Property
IE	9.10 ± 0.02	eV	NIST
logPoct/wat	2.391		Crippen Calculated Property
McVol	100.450	ml/mol	McGowan Calculated Property
Tboil	[411.00; 411.70]	K
Tboil	411.00	K	NIST
Tboil	411.70	K	NIST

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[205.28; 242.09]	J/mol×K	[429.91; 596.67]
Cp,gas	205.28	J/mol×K	429.91	Joback Calculated Property
Cp,gas	211.81	J/mol×K	457.70	Joback Calculated Property
Cp,gas	218.20	J/mol×K	485.50	Joback Calculated Property
Cp,gas	224.42	J/mol×K	513.29	Joback Calculated Property
Cp,gas	230.49	J/mol×K	541.08	Joback Calculated Property
Cp,gas	236.38	J/mol×K	568.87	Joback Calculated Property
Cp,gas	242.09	J/mol×K	596.67	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentafluoroanisole.

Sources

• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• 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.