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

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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[394.81; 810.65]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			6.44120e+01
Coefficient B			1.41258e+00
Coefficient C			-7.69240e-04
Coefficient D			1.02900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	394.81	J/mol×K	273.00	Calculated Property
Cp,gas	472.43	J/mol×K	353.78	Calculated Property
Cp,gas	541.44	J/mol×K	434.56	Calculated Property
Cp,gas	602.16	J/mol×K	515.33	Calculated Property
Cp,gas	654.92	J/mol×K	596.11	Calculated Property
Cp,gas	700.04	J/mol×K	676.89	Calculated Property
Cp,gas	737.84	J/mol×K	757.67	Calculated Property
Cp,gas	768.67	J/mol×K	838.44	Calculated Property
Cp,gas	792.83	J/mol×K	919.22	Calculated Property
Cp,gas	810.65	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Fluoroglycofen ethyl ester.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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