Chemical Properties of Methyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate (CAS 121325-44-8)

InChI

InChI=1S/C15H9ClF3NO5/c1-24-14(21)10-7-9(3-5-12(10)20(22)23)25-13-6-8(15(17,18)19)2-4-11(13)16/h2-7H,1H3

InChI Key

QBFYBNCGOQKESJ-UHFFFAOYSA-N

Formula

C15H9ClF3NO5

SMILES

COC(=O)c1cc(Oc2cc(C(F)(F)F)ccc2Cl)ccc1[N+](=O)[O-]

Molecular Weight¹

375.68

CAS

121325-44-8

Other Names

• Methyl 5-[2-chloro-5-(trifluoromethyl)phenoxy]-2-nitrobenzoate

• 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	[626.81; 664.75]	J/mol×K	[898.44; 1139.12]
Cp,gas	626.81	J/mol×K	898.44	Joback Calculated Property
Cp,gas	635.67	J/mol×K	938.55	Joback Calculated Property
Cp,gas	643.46	J/mol×K	978.67	Joback Calculated Property
Cp,gas	650.22	J/mol×K	1018.78	Joback Calculated Property
Cp,gas	655.99	J/mol×K	1058.89	Joback Calculated Property
Cp,gas	660.82	J/mol×K	1099.00	Joback Calculated Property
Cp,gas	664.75	J/mol×K	1139.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to Methyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate.

Sources

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

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