Chemical Properties of Acifluorfen, propyl ester

InChI

InChI=1S/C17H13ClF3NO5/c1-2-7-26-16(23)12-9-11(4-5-14(12)22(24)25)27-15-6-3-10(8-13(15)18)17(19,20)21/h3-6,8-9H,2,7H2,1H3

InChI Key

ZZCKHVXKCLNEAW-UHFFFAOYSA-N

Formula

C17H13ClF3NO5

SMILES

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

Molecular Weight¹

403.74

• 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).
• 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°	-618.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-967.63	kJ/mol	Joback Calculated Property
ΔfusH°	47.67	kJ/mol	Joback Calculated Property
ΔvapH°	89.43	kJ/mol	Joback Calculated Property
log10WS	-6.63		Crippen Calculated Property
logPoct/wat	5.626		Crippen Calculated Property
McVol	251.150	ml/mol	McGowan Calculated Property
Pc	1795.46	kPa	Joback Calculated Property
Inp	[2611.00; 2611.00]
Inp	2611.00		NIST
Inp	2611.00		NIST
Tboil	944.20	K	Joback Calculated Property
Tc	1180.31	K	Joback Calculated Property
Tfus	656.38	K	Joback Calculated Property
Vc	0.988	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[737.45; 777.92]	J/mol×K	[944.20; 1180.31]
Cp,gas	737.45	J/mol×K	944.20	Joback Calculated Property
Cp,gas	746.79	J/mol×K	983.55	Joback Calculated Property
Cp,gas	755.02	J/mol×K	1022.90	Joback Calculated Property
Cp,gas	762.20	J/mol×K	1062.26	Joback Calculated Property
Cp,gas	768.37	J/mol×K	1101.61	Joback Calculated Property
Cp,gas	773.59	J/mol×K	1140.96	Joback Calculated Property
Cp,gas	777.92	J/mol×K	1180.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acifluorfen, propyl ester.

Sources

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

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