Chemical Properties of Acifluorfen, isobutyl ester

InChI

InChI=1S/C18H15ClF3NO5/c1-10(2)9-27-17(24)13-8-12(4-5-15(13)23(25)26)28-16-6-3-11(7-14(16)19)18(20,21)22/h3-8,10H,9H2,1-2H3

InChI Key

IHGLAZUWEBNZJM-UHFFFAOYSA-N

Formula

C18H15ClF3NO5

SMILES

CC(C)COC(=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	0.9138		Relay (1.0) Calculated Property
ΔfG°	-612.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-1088.67	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.74	kJ/mol	Joback Calculated Property
ΔvapH°	99.92	kJ/mol	Relay (1.0) Calculated Property
IE	8.84	eV	Relay (1.0) Calculated Property
log10WS	-7.01		Relay (1.0) Calculated Property
logPoct/wat	5.872		Crippen Calculated Property
McVol	265.240	ml/mol	McGowan Calculated Property
Pc	1668.70	kPa	Joback Calculated Property
Inp	[2710.00; 2710.00]
Inp	2710.00		NIST
Inp	2710.00		NIST
Tboil	659.78	K	Relay (1.0) Calculated Property
Tc	940.90	K	Relay (1.0) Calculated Property
Tfus	363.51	K	Relay (1.0) Calculated Property
Vc	0.942	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[794.35; 835.43]	J/mol×K	[966.64; 1204.03]
Cp,gas	794.35	J/mol×K	966.64	Joback Calculated Property
Cp,gas	803.91	J/mol×K	1006.21	Joback Calculated Property
Cp,gas	812.31	J/mol×K	1045.77	Joback Calculated Property
Cp,gas	819.60	J/mol×K	1085.34	Joback Calculated Property
Cp,gas	825.85	J/mol×K	1124.90	Joback Calculated Property
Cp,gas	831.10	J/mol×K	1164.47	Joback Calculated Property
Cp,gas	835.43	J/mol×K	1204.03	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acifluorfen, isobutyl ester.

Sources

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

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