Chemical Properties of Fluorodifen (CAS 15457-05-3)

InChI

InChI=1S/C13H7F3N2O5/c14-13(15,16)8-1-6-12(11(7-8)18(21)22)23-10-4-2-9(3-5-10)17(19)20/h1-7H

InChI Key

HHMCAJWVGYGUEF-UHFFFAOYSA-N

Formula

C13H7F3N2O5

SMILES

O=[N+]([O-])c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1

Molecular Weight¹

328.20

CAS

15457-05-3

Other Names

• 2,4'-Dinitro-4-(trifluoromethyl)diphenyl ether
• 2,4-Dinitro-p-trifluoromethyl phenyl ether
• 2-Nitro-1-(4-nitrophenoxy)-4-(trifluoromethyl)benzene
• 4-Nitrophenyl 4-(trifluoromethyl)-2-nitrophenyl ether
• 4-Nitrophenyl «alpha»,«alpha»,«alpha»-trifluoro-2-nitro-p-tolyl ether
• 4-Trifluoromethyl-2,4'-dinitrodiphenyl ether
• 4-Trifluoromethyl-2,4'-dinitrophenyl ether
• Benzene, 2-nitro-1-(4-nitrophenoxy)-4-(trifluoromethyl)-
• C 6989
• Ether, 2,4'-dinitro-4-trifluoromethyldiphenyl
• Ether, p-nitrophenyl «alpha»,«alpha»,«alpha»-trifluoro-2-nitro-p-tolyl
• Fluordifen
• Fluorodiphen
• NSC 58415
• Preforan
• Soyex
• p-Nitrophenyl 2-nitro-4-(trifluoromethyl)phenyl ether
• p-Nitrophenyl «alpha»,«alpha»,«alpha»-trifluoro-2-nitro-p-tolyl ether

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[556.34; 595.95]	J/mol×K	[885.82; 1146.01]
Cp,gas	556.34	J/mol×K	885.82	Joback Calculated Property
Cp,gas	565.19	J/mol×K	929.19	Joback Calculated Property
Cp,gas	573.02	J/mol×K	972.55	Joback Calculated Property
Cp,gas	579.91	J/mol×K	1015.92	Joback Calculated Property
Cp,gas	585.96	J/mol×K	1059.28	Joback Calculated Property
Cp,gas	591.28	J/mol×K	1102.65	Joback Calculated Property
Cp,gas	595.95	J/mol×K	1146.01	Joback Calculated Property
ΔfusH	[18.44; 18.44]	kJ/mol	[364.60; 364.60]
ΔfusH	18.44	kJ/mol	364.60	NIST
ΔfusH	18.44	kJ/mol	364.60	NIST

Similar Compounds

Find more compounds similar to Fluorodifen.

Sources

• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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