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Basic Information
CAS No.: 577-62-8
Name: ETHYL 2-(TRIFLUOROMETHYL)BENZOATE
Article Data: 20
Molecular Structure:
Molecular Structure of 577-62-8 (ETHYL 2-(TRIFLUOROMETHYL)BENZOATE)
Formula: C10H9F3O2
Molecular Weight: 218.175
Synonyms: Ethyl α,α,α-o-toluate;2-(Trifluoromethyl)benzoic acid ethyl ester;Ethyl 2-(trifluoromethyl)benzoate;
Density: 1.23 g/cm3
Boiling Point: 238 °C at 760 mmHg
Flash Point: 83.2 °C
Hazard Symbols: FlammableF
PSA: 26.30000
LogP: 2.88210
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Specification

The CAS register number of Benzoic acid,2-(trifluoromethyl)-, ethyl ester is 577-62-8. It also can be called as 2-(Trifluoromethyl)benzoic acid ethyl ester and the systematic name about this chemical is ethyl 2-(trifluoromethyl)benzoate. The molecular formula about this chemical is C10H9F3O2 and the molecular weight is 218.17.

Physical properties about Benzoic acid,2-(trifluoromethyl)-, ethyl ester are: (1)ACD/LogP: 3.70; (2)ACD/LogD (pH 5.5): 3.7; (3)ACD/LogD (pH 7.4): 3.7; (4)ACD/BCF (pH 5.5): 381.29; (5)ACD/BCF (pH 7.4): 381.29; (6)ACD/KOC (pH 5.5): 2450.55; (7)ACD/KOC (pH 7.4): 2450.55; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 26.3Å2; (11)Index of Refraction: 1.449; (12)Molar Refractivity: 47.63 cm3; (13)Molar Volume: 177.3 cm3; (14)Polarizability: 18.88x10-24cm3; (15)Surface Tension: 28.3 dyne/cm; (16)Flash Point: 83.2 °C; (17)Enthalpy of Vaporization: 47.49 kJ/mol; (18)Boiling Point: 238 °C at 760 mmHg; (19)Vapour Pressure: 0.0434 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ccccc1C(=O)OCC
(2)InChI: InChI=1/C10H9F3O2/c1-2-15-9(14)7-5-3-4-6-8(7)10(11,12)13/h3-6H,2H2,1H3
(3)InChIKey: BQLMZZVRHPZRBQ-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C10H9F3O2/c1-2-15-9(14)7-5-3-4-6-8(7)10(11,12)13/h3-6H,2H2,1H3
(5)Std. InChIKey: BQLMZZVRHPZRBQ-UHFFFAOYSA-N