Chemical Properties of Acifluorfen, heptyl ester

InChI

InChI=1S/C21H21ClF3NO5/c1-2-3-4-5-6-11-30-20(27)16-13-15(8-9-18(16)26(28)29)31-19-10-7-14(12-17(19)22)21(23,24)25/h7-10,12-13H,2-6,11H2,1H3

InChI Key

MQXAHNZQJKOPBR-UHFFFAOYSA-N

Formula

C21H21ClF3NO5

SMILES

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

Molecular Weight¹

459.84

• 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°	-584.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-1050.19	kJ/mol	Joback Calculated Property
ΔfusH°	58.03	kJ/mol	Joback Calculated Property
ΔvapH°	98.33	kJ/mol	Joback Calculated Property
log10WS	-8.30		Crippen Calculated Property
logPoct/wat	7.187		Crippen Calculated Property
McVol	307.510	ml/mol	McGowan Calculated Property
Pc	1328.10	kPa	Joback Calculated Property
Inp	[3107.00; 3107.00]
Inp	3107.00		NIST
Inp	3107.00		NIST
Tboil	1035.72	K	Joback Calculated Property
Tc	1272.59	K	Joback Calculated Property
Tfus	701.46	K	Joback Calculated Property
Vc	1.212	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[966.87; 1010.47]	J/mol×K	[1035.72; 1272.59]
Cp,gas	966.87	J/mol×K	1035.72	Joback Calculated Property
Cp,gas	976.89	J/mol×K	1075.20	Joback Calculated Property
Cp,gas	985.71	J/mol×K	1114.68	Joback Calculated Property
Cp,gas	993.41	J/mol×K	1154.15	Joback Calculated Property
Cp,gas	1000.05	J/mol×K	1193.63	Joback Calculated Property
Cp,gas	1005.72	J/mol×K	1233.11	Joback Calculated Property
Cp,gas	1010.47	J/mol×K	1272.59	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acifluorfen, heptyl ester.

Sources

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

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