Chemical Properties of Oxyfluorfen (CAS 42874-03-3)

InChI

InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3

InChI Key

OQMBBFQZGJFLBU-UHFFFAOYSA-N

Formula

C15H11ClF3NO4

SMILES

CCOc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

Molecular Weight¹

361.70

CAS

42874-03-3

Other Names

• Benzene, 2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)-
• Ether, 2-chloro-«alpha»,«alpha»,«alpha»-trifluoro-p-tolyl 3-ethoxy-4-nitrophenyl
• 2-Chloro-1-(3-ethoxy-4-nitrophenoxy)-4-trifluoromethylbenzene
• 2-Chloro-«alpha»,«alpha»,«alpha»-trifluoro-p-tolyl-3-ethoxy-4-nitrophenyl ether
• Goal
• Oxyfluorfene
• RH 2915
• Oxyfluorofen
• Galigan
• Koltar
• Oxygold
• Oxyflurofen

• 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).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ΔfG°	-506.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-813.77	kJ/mol	Joback Calculated Property
ΔfusH°	40.89	kJ/mol	Joback Calculated Property
ΔvapH°	78.23	kJ/mol	Joback Calculated Property
log10WS	-6.08		Crippen Calculated Property
logPoct/wat	5.458		Crippen Calculated Property
McVol	221.400	ml/mol	McGowan Calculated Property
Pc	2009.10	kPa	Joback Calculated Property
Inp	[2197.00; 2198.00]
Inp	2198.00		NIST
Inp	2197.00		NIST
Tboil	844.57	K	Joback Calculated Property
Tc	1080.08	K	Joback Calculated Property
Tfus	359.75 ± 0.20	K	NIST
Vc	0.870	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[621.53; 671.11]	J/mol×K	[844.57; 1080.08]
Cp,gas	621.53	J/mol×K	844.57	Joback Calculated Property
Cp,gas	632.33	J/mol×K	883.82	Joback Calculated Property
Cp,gas	642.05	J/mol×K	923.07	Joback Calculated Property
Cp,gas	650.74	J/mol×K	962.33	Joback Calculated Property
Cp,gas	658.45	J/mol×K	1001.58	Joback Calculated Property
Cp,gas	665.23	J/mol×K	1040.83	Joback Calculated Property
Cp,gas	671.11	J/mol×K	1080.08	Joback Calculated Property
ΔfusH	30.07	kJ/mol	358.80	NIST

Similar Compounds

Find more compounds similar to Oxyfluorfen.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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