Decanoic acid, octylester supplier

Name
OCTYL CAPRATE
EINECS 218-983-1
CAS No. 2306-92-5
Article Data5
CAS DataBase
Density 0.864 g/cm³
Solubility
Melting Point
Formula C₁₈H₃₆O₂
Boiling Point 334.7 °C at 760 mmHg
Molecular Weight 284.483
Flash Point 158.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Octyldecanoate;Octyl caprate;Octyl decanoate;Capric acid octyl ester;
PSA 26.30000
LogP 6.03080

Decanoic acid, octylester 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

Product Name

OCTYL CAPRATE

Decanoic acid, octylester Specification

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