Chemical Properties of Acifluorfen, butyl ester

InChI

InChI=1S/C18H15ClF3NO5/c1-2-3-8-27-17(24)13-10-12(5-6-15(13)23(25)26)28-16-7-4-11(9-14(16)19)18(20,21)22/h4-7,9-10H,2-3,8H2,1H3

InChI Key

PIWYWRFEDQYIEK-UHFFFAOYSA-N

Formula

C18H15ClF3NO5

SMILES

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

Molecular Weight¹

417.76

• ω : Acentric Factor.
• 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_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).
• 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
ω	0.9477		Relay (1.0) Calculated Property
ΔfG°	-609.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-1068.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.26	kJ/mol	Joback Calculated Property
ΔvapH°	102.69	kJ/mol	Relay (1.0) Calculated Property
IE	8.78	eV	Relay (1.0) Calculated Property
log10WS	-7.14		Relay (1.0) Calculated Property
logPoct/wat	6.016		Crippen Calculated Property
McVol	265.240	ml/mol	McGowan Calculated Property
Pc	1657.84	kPa	Joback Calculated Property
Inp	[2806.00; 2806.00]
Inp	2806.00		NIST
Inp	2806.00		NIST
Tboil	658.73	K	Relay (1.0) Calculated Property
Tc	939.89	K	Relay (1.0) Calculated Property
Tfus	335.77	K	Relay (1.0) Calculated Property
Vc	0.944	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[793.87; 835.29]	J/mol×K	[967.08; 1202.08]
Cp,gas	793.87	J/mol×K	967.08	Joback Calculated Property
Cp,gas	803.40	J/mol×K	1006.25	Joback Calculated Property
Cp,gas	811.80	J/mol×K	1045.41	Joback Calculated Property
Cp,gas	819.14	J/mol×K	1084.58	Joback Calculated Property
Cp,gas	825.46	J/mol×K	1123.74	Joback Calculated Property
Cp,gas	830.83	J/mol×K	1162.91	Joback Calculated Property
Cp,gas	835.29	J/mol×K	1202.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acifluorfen, butyl ester.

Sources

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

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