Chemical Properties of Fluoroglycofen ethyl ester (CAS 77501-90-7)

InChI

InChI=1S/C18H13ClF3NO7/c1-2-28-16(24)9-29-17(25)12-8-11(4-5-14(12)23(26)27)30-15-6-3-10(7-13(15)19)18(20,21)22/h3-8H,2,9H2,1H3

InChI Key

IPPAUTOBDWNELX-UHFFFAOYSA-N

Formula

C18H13ClF3NO7

SMILES

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

Molecular Weight¹

447.75

CAS

77501-90-7

Other Names

• Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitro-, ester with ethyl glycolate
• BAS 9106 H
• Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitro-, 2-ethoxy-2-oxoethyl ester
• Fluoroglycofen
• Fluoroglycofen-ethyl
• RH-0265
• Super blazer

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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).
• 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	[817.77; 836.38]	J/mol×K	[1043.37; 1286.24]
Cp,gas	817.77	J/mol×K	1043.37	Joback Calculated Property
Cp,gas	824.10	J/mol×K	1083.85	Joback Calculated Property
Cp,gas	829.09	J/mol×K	1124.33	Joback Calculated Property
Cp,gas	832.77	J/mol×K	1164.80	Joback Calculated Property
Cp,gas	835.19	J/mol×K	1205.28	Joback Calculated Property
Cp,gas	836.38	J/mol×K	1245.76	Joback Calculated Property
Cp,gas	836.37	J/mol×K	1286.24	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fluoroglycofen ethyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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