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Basic Information
CAS No.: 42175-41-7
Name: Benzyl decanoate
Molecular Structure:
Molecular Structure of 42175-41-7 (Benzyl decanoate)
Formula: C17H26O2
Molecular Weight: 262.392
Synonyms: Benzyl decanoate;Benzylcaprate;
EINECS: 255-696-0
Density: 0.956 g/cm3
Boiling Point: 344.7 °C at 760 mmHg
Flash Point: 109.5 °C
PSA: 26.30000
LogP: 4.87050
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Specification

The Decanoic acid, phenylmethyl ester, with the CAS registry number of 42175-41-7, is also known as Capric acid benzyl ester. Its EINECS registry number is 255-696-0. This chemical's molecular formula is C17H26O2 and molecular weight is 262.38714. What's more, its IUPAC name is Benzyl decanoate.

Physical properties about Decanoic acid, phenylmethyl ester are: (1)ACD/LogP: 6.18; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.18; (4)ACD/LogD (pH 7.4): 6.18; (5)ACD/BCF (pH 5.5): 29283.55; (6)ACD/BCF (pH 7.4): 29283.55; (7)ACD/KOC (pH 5.5): 54801.68; (8)ACD/KOC (pH 7.4): 54801.68; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.489; (14)Molar Refractivity: 79.27 cm3; (15)Molar Volume: 274.2 cm3; (16)Surface Tension: 34.8 dyne/cm; (17)Density: 0.956 g/cm3; (18)Flash Point: 109.5 °C; (19)Enthalpy of Vaporization: 58.87 kJ/mol; (20)Boiling Point: 344.7 °C at 760 mmHg; (21)Vapour Pressure: 6.46E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCc1ccccc1)CCCCCCCCC
(2) InChI: InChI=1/C17H26O2/c1-2-3-4-5-6-7-11-14-17(18)19-15-16-12-9-8-10-13-16/h8-10,12-13H,2-7,11,14-15H2,1H3
(3) InChIKey: ZSAYVPCIKVBDRI-UHFFFAOYAS