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18908-74-2

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Basic Information
CAS No.: 18908-74-2
Name: ETHYL 4-BENZYLBENZOATE
Article Data: 38
Molecular Structure:
Molecular Structure of 18908-74-2 (ETHYL 4-BENZYLBENZOATE)
Formula: C16H16O2
Molecular Weight: 240.302
Synonyms: Ethyl 4-benzylbenzoate;4-(Phenylmethyl)benzoic acid ethyl ester;p-Toluicacid, a-phenyl-, ethyl ester (8CI);
Density: 1.076 g/cm3
Boiling Point: 356.8 °C at 760 mmHg
Flash Point: 155.7 °C
PSA: 26.30000
LogP: 3.45410
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Specification

The Benzoic acid,4-(phenylmethyl)-, ethyl ester, with the CAS registry number 18908-74-2, is also known as 4-(Phenylmethyl)benzoic acid ethyl ester. This chemical's molecular formula is C16H16O2 and molecular weight is 240.3. What's more, its systematic name is Ethyl 4-benzylbenzoate.

Physical properties of Benzoic acid,4-(phenylmethyl)-, ethyl ester are: (1)ACD/LogP: 4.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.72; (4)ACD/LogD (pH 7.4): 4.72; (5)ACD/BCF (pH 5.5): 2260.45; (6)ACD/BCF (pH 7.4): 2260.45; (7)ACD/KOC (pH 5.5): 8760.51; (8)ACD/KOC (pH 7.4): 8760.51; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 71.97 cm3; (15)Molar Volume: 223.2 cm3; (16)Polarizability: 28.53×10-24 cm3; (17)Surface Tension: 40.4 dyne/cm; (18)Density: 1.076 g/cm3; (19)Flash Point: 155.7 °C; (20)Enthalpy of Vaporization: 60.21 kJ/mol; (21)Boiling Point: 356.8 °C at 760 mmHg; (22)Vapour Pressure: 2.85E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1ccc(cc1)Cc2ccccc2
(2)InChI: InChI=1/C16H16O2/c1-2-18-16(17)15-10-8-14(9-11-15)12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
(3)InChIKey: JCIYPRZUNRMPSX-UHFFFAOYSA-N