Chemical Properties of Acifluorfen, octyl ester

InChI

InChI=1S/C22H23ClF3NO5/c1-2-3-4-5-6-7-12-31-21(28)17-14-16(9-10-19(17)27(29)30)32-20-11-8-15(13-18(20)23)22(24,25)26/h8-11,13-14H,2-7,12H2,1H3

InChI Key

XYFLXYKWYLMEJB-UHFFFAOYSA-N

Formula

C22H23ClF3NO5

SMILES

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

Molecular Weight¹

473.87

• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1025.64; 1069.85]	J/mol×K	[1058.60; 1298.00]
Cp,gas	1025.64	J/mol×K	1058.60	Joback Calculated Property
Cp,gas	1035.81	J/mol×K	1098.50	Joback Calculated Property
Cp,gas	1044.76	J/mol×K	1138.40	Joback Calculated Property
Cp,gas	1052.56	J/mol×K	1178.30	Joback Calculated Property
Cp,gas	1059.29	J/mol×K	1218.20	Joback Calculated Property
Cp,gas	1065.03	J/mol×K	1258.10	Joback Calculated Property
Cp,gas	1069.85	J/mol×K	1298.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acifluorfen, octyl ester.

Sources

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

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