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61810-55-7

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Basic Information
CAS No.: 61810-55-7
Name: phenethyl decanoate
Article Data: 5
Molecular Structure:
Molecular Structure of 61810-55-7 (phenethyl decanoate)
Formula: C18H28O2
Molecular Weight: 276.419
Synonyms: 2-Phenylethyldecanoate;Phenethyl caprate;b-Phenylethyl caprate;2-Phenylethyl decanoate;Decanoic acid phenethyl ester;
EINECS: 263-237-0
Density: 0.95 g/cm3
Boiling Point: 368.2 °C at 760 mmHg
Flash Point: 114.4 °C
PSA: 26.30000
LogP: 4.91300
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Specification

The Decanoic acid,2-phenylethyl ester, with the CAS registry number 61810-55-7, is also known as Decanoic acid phenethyl ester. Its EINECS number is 263-237-0. This chemical's molecular formula is C18H28O2 and molecular weight is 276.41. What's more, its systematic name is 2-phenylethyl decanoate.

Physical properties of Decanoic acid,2-phenylethyl ester are: (1)ACD/LogP: 6.55; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.55; (4)ACD/LogD (pH 7.4): 6.55; (5)ACD/BCF (pH 5.5): 55958.51; (6)ACD/BCF (pH 7.4): 55958.51; (7)ACD/KOC (pH 5.5): 87117.22; (8)ACD/KOC (pH 7.4): 87117.22; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.488; (14)Molar Refractivity: 83.9 cm3; (15)Molar Volume: 290.8 cm3; (16)Polarizability: 33.26×10-24cm3; (17)Surface Tension: 34.8 dyne/cm; (18)Density: 0.95 g/cm3; (19)Flash Point: 114.4 °C; (20)Enthalpy of Vaporization: 61.48 kJ/mol; (21)Boiling Point: 368.2 °C at 760 mmHg; (22)Vapour Pressure: 1.3E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCc1ccccc1)CCCCCCCCC
(2)InChI: InChI=1S/C18H28O2/c1-2-3-4-5-6-7-11-14-18(19)20-16-15-17-12-9-8-10-13-17/h8-10,12-13H,2-7,11,14-16H2,1H3
(3)InChIKey: DDMQLUJPAGWJOB-UHFFFAOYSA-N