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CAS No.: | 3468-99-3 |
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Name: | DIPHENYL-ACETIC ACID ETHYL ESTER |
Article Data: | 50 |
Molecular Structure: | |
Formula: | C16H16O2 |
Molecular Weight: | 240.302 |
Synonyms: | Aceticacid, diphenyl-, ethyl ester (6CI,7CI,8CI);Diphenylacetic acid ethyl ester;Ethyl diphenylacetate;NSC 17496;Acetic acid, diphenyl-, ethyl ester;benzeneacetic acid, α-phenyl-, ethyl ester;Diphenyl-acetic acid ethyl ester;Ethyl diphenylacetate; |
Density: | 1.079 g/cm3 |
Melting Point: | 170-171℃ |
Boiling Point: | 336.9 °C at 760 mmHg |
Flash Point: | 131.2 °C |
PSA: | 26.30000 |
LogP: | 3.38160 |
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The Benzeneacetic acid, a-phenyl-, ethyl ester, with the CAS registry number 3468-99-3, has the systematic name of ethyl diphenylacetate. It is also called Diphenyl-acetic acid ethyl ester. And the molecular formula of this chemical is C16H16O2.
The physical properties of Benzeneacetic acid, a-phenyl-, ethyl ester are as following: (1)ACD/LogP: 4.24; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.553; (8)Molar Refractivity: 71.24 cm3; (9)Molar Volume: 222.5 cm3; (10)Polarizability: 28.24×10-24cm3; (11)Surface Tension: 40.3 dyne/cm; (12)Density: 1.079 g/cm3; (13)Flash Point: 131.2 °C; (14)Enthalpy of Vaporization: 58.01 kJ/mol; (15)Boiling Point: 336.9 °C at 760 mmHg; (16)Vapour Pressure: 0.000109 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C(c1ccccc1)c2ccccc2
(2)InChI: InChI=1/C16H16O2/c1-2-18-16(17)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3
(3)InChIKey: PYPHPZOQIVEWHN-UHFFFAOYAH