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2306-92-5

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Basic Information
CAS No.: 2306-92-5
Name: OCTYL CAPRATE
Article Data: 5
Molecular Structure:
Molecular Structure of 2306-92-5 (OCTYL CAPRATE)
Formula: C18H36O2
Molecular Weight: 284.483
Synonyms: 1-Octyldecanoate;Octyl caprate;Octyl decanoate;Capric acid octyl ester;
EINECS: 218-983-1
Density: 0.864 g/cm3
Boiling Point: 334.7 °C at 760 mmHg
Flash Point: 158.5 °C
PSA: 26.30000
LogP: 6.03080
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Specification

The CAS register number of Decanoic acid, octylester is 2306-92-5. It also can be called as Capric acid octyl ester. The molecular formula about this chemical is C18H36O2 and the molecular weight is 284.48.

Physical properties about Decanoic acid, octylester are: (1)ACD/LogP: 8.15; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.15; (4)ACD/LogD (pH 7.4): 8.15; (5)ACD/BCF (pH 5.5): 916023.13; (6)ACD/BCF (pH 7.4): 916023.13; (7)ACD/KOC (pH 5.5): 644319.94; (8)ACD/KOC (pH 7.4): 644319.94; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 16; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.442; (13)Molar Refractivity: 87.21 cm3; (14)Molar Volume: 329.1 cm3; (15)Polarizability: 34.57x10-24cm3; (16)Surface Tension: 30.4 dyne/cm; (17)Density: 0.864 g/cm3; (18)Flash Point: 158.5 °C; (19)Enthalpy of Vaporization: 57.77 kJ/mol; (20)Boiling Point: 334.7 °C at 760 mmHg; (21)Vapour Pressure: 0.000126 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCCCCCCC)CCCCCCCCC
(2)InChI: InChI=1/C18H36O2/c1-3-5-7-9-11-12-14-16-18(19)20-17-15-13-10-8-6-4-2/h3-17H2,1-2H3
(3)InChIKey: HRPZGPXWSVHWPB-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C18H36O2/c1-3-5-7-9-11-12-14-16-18(19)20-17-15-13-10-8-6-4-2/h3-17H2,1-2H3
(5)Std. InChIKey: HRPZGPXWSVHWPB-UHFFFAOYSA-N