Chemical Properties of Acifluorfen (CAS 50594-66-6)

InChI

InChI=1S/C14H7ClF3NO5/c15-10-5-7(14(16,17)18)1-4-12(10)24-8-2-3-11(19(22)23)9(6-8)13(20)21/h1-6H,(H,20,21)

InChI Key

NUFNQYOELLVIPL-UHFFFAOYSA-N

Formula

C14H7ClF3NO5

SMILES

O=C(O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

Molecular Weight¹

361.66

CAS

50594-66-6

Other Names

• Benzoic acid, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-
• 5-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid
• Tackle
• 62476-59-9 (sodium salt)

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	47.26	kJ/mol	Joback Calculated Property
log10WS	-5.58		Relay (1.0) Calculated Property
logPoct/wat	4.758		Crippen Calculated Property
McVol	208.880	ml/mol	McGowan Calculated Property
Inp	[2903.00; 2903.00]
Inp	2903.00		NIST
Inp	2903.00		NIST
Tboil	628.84	K	Relay (1.0) Calculated Property
Tfus	437.48 ± 0.20	K	NIST

Cheméo can also estimate 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, Ionization energy 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	[589.42; 622.66]	J/mol×K	[944.98; 1193.11]
Cp,gas	589.42	J/mol×K	944.98	Joback Calculated Property
Cp,gas	596.64	J/mol×K	986.33	Joback Calculated Property
Cp,gas	603.08	J/mol×K	1027.69	Joback Calculated Property
Cp,gas	608.81	J/mol×K	1069.04	Joback Calculated Property
Cp,gas	613.93	J/mol×K	1110.40	Joback Calculated Property
Cp,gas	618.52	J/mol×K	1151.75	Joback Calculated Property
Cp,gas	622.66	J/mol×K	1193.11	Joback Calculated Property
ΔfusH	37.67	kJ/mol	436.60	NIST

Similar Compounds

Find more compounds similar to Acifluorfen.

Sources

• Cheméo Relay (1.0)
• 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.
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