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

• 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[811.98; 829.66]	J/mol×K	[1007.43; 1245.29]
Cp,gas	811.98	J/mol×K	1007.43	Joback Calculated Property
Cp,gas	818.25	J/mol×K	1047.07	Joback Calculated Property
Cp,gas	823.11	J/mol×K	1086.72	Joback Calculated Property
Cp,gas	826.60	J/mol×K	1126.36	Joback Calculated Property
Cp,gas	828.78	J/mol×K	1166.00	Joback Calculated Property
Cp,gas	829.66	J/mol×K	1205.65	Joback Calculated Property
Cp,gas	829.30	J/mol×K	1245.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fluoroglycofen ethyl ester.

Sources

• 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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