Chemical Properties of Acifluorfen, dodecyl ester

InChI

InChI=1S/C26H31ClF3NO5/c1-2-3-4-5-6-7-8-9-10-11-16-35-25(32)21-18-20(13-14-23(21)31(33)34)36-24-15-12-19(17-22(24)27)26(28,29)30/h12-15,17-18H,2-11,16H2,1H3

InChI Key

VRASPOILRCZLKZ-UHFFFAOYSA-N

Formula

C26H31ClF3NO5

SMILES

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

Molecular Weight¹

529.98

• 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°	-542.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-1153.39	kJ/mol	Joback Calculated Property
ΔfusH°	70.98	kJ/mol	Joback Calculated Property
ΔvapH°	109.46	kJ/mol	Joback Calculated Property
log10WS	-10.39		Crippen Calculated Property
logPoct/wat	9.137		Crippen Calculated Property
McVol	377.960	ml/mol	McGowan Calculated Property
Pc	962.08	kPa	Joback Calculated Property
Inp	[3622.00; 3622.00]
Inp	3622.00		NIST
Inp	3622.00		NIST
Tboil	1150.12	K	Joback Calculated Property
Tc	1410.87	K	Joback Calculated Property
Tfus	757.81	K	Joback Calculated Property
Vc	1.492	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1265.16; 1312.21]	J/mol×K	[1150.12; 1410.87]
Cp,gas	1265.16	J/mol×K	1150.12	Joback Calculated Property
Cp,gas	1276.12	J/mol×K	1193.58	Joback Calculated Property
Cp,gas	1285.68	J/mol×K	1237.04	Joback Calculated Property
Cp,gas	1293.94	J/mol×K	1280.50	Joback Calculated Property
Cp,gas	1301.04	J/mol×K	1323.96	Joback Calculated Property
Cp,gas	1307.08	J/mol×K	1367.42	Joback Calculated Property
Cp,gas	1312.21	J/mol×K	1410.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acifluorfen, dodecyl ester.

Sources

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

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