Chemical Properties of Acifluorfen, pentyl ester

InChI

InChI=1S/C19H17ClF3NO5/c1-2-3-4-9-28-18(25)14-11-13(6-7-16(14)24(26)27)29-17-8-5-12(10-15(17)20)19(21,22)23/h5-8,10-11H,2-4,9H2,1H3

InChI Key

ZLDJJDHUCWYLJN-UHFFFAOYSA-N

Formula

C19H17ClF3NO5

SMILES

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

Molecular Weight¹

431.79

• 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	0.9910		Relay (1.0) Calculated Property
ΔfG°	-601.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-1088.28	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	52.85	kJ/mol	Joback Calculated Property
ΔvapH°	105.11	kJ/mol	Relay (1.0) Calculated Property
IE	8.74	eV	Relay (1.0) Calculated Property
log10WS	-7.46		Relay (1.0) Calculated Property
logPoct/wat	6.406		Crippen Calculated Property
McVol	279.330	ml/mol	McGowan Calculated Property
Pc	1535.46	kPa	Joback Calculated Property
Inp	[2904.00; 2904.00]
Inp	2904.00		NIST
Inp	2904.00		NIST
Tboil	667.00	K	Relay (1.0) Calculated Property
Tc	948.76	K	Relay (1.0) Calculated Property
Tfus	338.94	K	Relay (1.0) Calculated Property
Vc	0.996	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[850.94; 893.18]	J/mol×K	[989.96; 1224.68]
Cp,gas	850.94	J/mol×K	989.96	Joback Calculated Property
Cp,gas	860.64	J/mol×K	1029.08	Joback Calculated Property
Cp,gas	869.20	J/mol×K	1068.20	Joback Calculated Property
Cp,gas	876.67	J/mol×K	1107.32	Joback Calculated Property
Cp,gas	883.12	J/mol×K	1146.44	Joback Calculated Property
Cp,gas	888.60	J/mol×K	1185.56	Joback Calculated Property
Cp,gas	893.18	J/mol×K	1224.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acifluorfen, pentyl ester.

Sources

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

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