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61911-58-8

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Basic Information
CAS No.: 61911-58-8
Name: Maleic acid 1-butyl 4-octyl ester
Molecular Structure:
Molecular Structure of 61911-58-8 (Maleic acid 1-butyl 4-octyl ester)
Formula: C16H28O4
Molecular Weight: 284.39
Synonyms: 2-Butenedioic acid (2Z)-, butyl octyl ester;octyl butyl (Z)-but-2-enedioate;57694-99-2;
Density: 0.969 g/cm3
Boiling Point: 359.1 °C at 760 mmHg
Flash Point: 167.4 °C
PSA: 52.60000
LogP: 3.78960
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Specification

This chemical is called Butyl octyl maleate, and its IUPAC name is 1-O-butyl 4-O-octyl (Z)-but-2-enedioate. With the molecular formula of C16H28O4, its molecular weight is 284.39. The CAS registry number of this chemical is 61911-58-8.

Other characteristics of the Butyl octyl maleate can be summarised as followings: (1)ACD/LogP: 5.93; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.93; (4)ACD/LogD (pH 7.4): 5.93; (5)ACD/BCF (pH 5.5): 19039.12; (6)ACD/BCF (pH 7.4): 19039.12; (7)ACD/KOC (pH 5.5): 40267.77; (8)ACD/KOC (pH 7.4): 40267.77; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.456; (14)Molar Refractivity: 79.78 cm3; (15)Molar Volume: 293.2 cm3; (16)Polarizability: 31.62×10-24cm3; (17)Surface Tension: 33.4 dyne/cm; (18)Density: 0.969 g/cm3; (19)Flash Point: 167.4 °C; (20)Enthalpy of Vaporization: 60.47 kJ/mol; (21)Boiling Point: 359.1 °C at 760 mmHg; (22)Vapour Pressure: 2.43E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(OCCCC)\C=C/C(=O)OCCCCCCCC
2.InChI: InChI=1/C16H28O4/c1-3-5-7-8-9-10-14-20-16(18)12-11-15(17)19-13-6-4-2/h11-12H,3-10,13-14H2,1-2H3/b12-11-
3.InChIKey: KBZVSYQZRXCWHY-QXMHVHEDBS