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59231-34-4

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Basic Information
CAS No.: 59231-34-4
Name: isodecyl oleate
Molecular Structure:
Molecular Structure of 59231-34-4 (isodecyl oleate)
Formula: C28H54O2
Molecular Weight: 422.73
Synonyms: 9-Octadecenoicacid (Z)-, isodecyl ester;Oleic acid, isodecyl ester (6CI);Ceraphyl 140A;Isodecyl oleate;
EINECS: 261-673-6
Density: 0.865 g/cm3
Boiling Point: 491.5 °C at 760 mmHg
Flash Point: 75.2 °C
PSA: 26.30000
LogP: 9.56370
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Specification

This chemical is called 9-Octadecenoic acid (9Z)-, isodecyl ester, and it can also be named as Isodecyl oleate. With the molecular formula of C28H54O2, its molecular weight is 422.73. The CAS registry number of this chemical is 59231-34-4.

Other characteristics of the 9-Octadecenoic acid (9Z)-, isodecyl ester can be summarised as followings: (1)ACD/LogP: 12.76; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 12.76; (4)ACD/LogD (pH 7.4): 12.76 ; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 24; (8)Polar Surface Area: 26.3 Å2; (9)Index of Refraction: 1.459; (10)Molar Refractivity: 133.56 cm3; (11)Molar Volume: 488.1 cm3; (12)Polarizability: 52.94×10-24cm3; (13)Surface Tension: 31.3 dyne/cm; (14)Density: 0.865 g/cm3; (15)Flash Point: 75.2 °C; (16)Enthalpy of Vaporization: 75.83 kJ/mol; (17)Boiling Point: 491.5 °C at 760 mmHg; (18)Vapour Pressure: 8.31E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: CC(C)CCCCCCCOC(=O)CCCCCCCC=CCCCCCCCC
2.InChI: InChI=1/C28H54O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-28(29)30-26-23-20-17-18-21-24-27(2)3/h11-12,27H,4-10,13-26H2,1-3H3
3.InChIKey: ODMZDMMTKHXXKA-UHFFFAOYAU