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| CAS No.: | 14234-82-3 |
|---|---|
| Name: | Diisobutyl maleate |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C12H20O4 |
| Molecular Weight: | 228.288 |
| Synonyms: | 2-Butenedioicacid (2Z)-, bis(2-methylpropyl) ester (9CI);2-Butenedioic acid (Z)-,bis(2-methylpropyl) ester;Maleic acid, diisobutyl ester (6CI,7CI,8CI); |
| EINECS: | 238-102-4 |
| Density: | 1.001 g/cm3 |
| Boiling Point: | 283.457 °C at 760 mmHg |
| Flash Point: | 129.842 °C |
| Appearance: | Clear liquid, slight odor. |
| PSA: | 52.60000 |
| LogP: | 1.94100 |
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Specification
The Diisobutyl maleate, with CAS registry number 14234-82-3, has the systematic name of bis(2-methylpropyl) (2Z)-but-2-enedioate. And its IUPAC name is bis(2-methylpropyl) (Z)-but-2-enedioate. Besides this, it is also called Maleic acid, diisobutyl ester. And the chemical formula of this chemical is C12H20O4.
Physical properties of Diisobutyl maleate: (1)ACD/LogP: 3.44; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 52.6 Å2; (7)Index of Refraction: 1.449; (8)Molar Refractivity: 61.16 cm3; (9)Molar Volume: 227.9 cm3; (10)Polarizability: 24.24×10-24cm3; (11)Surface Tension: 31.7 dyne/cm; (12)Enthalpy of Vaporization: 52.24 kJ/mol; (13)Vapour Pressure: 0.00316 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC(C)C)\C=C/C(=O)OCC(C)C
(2)InChI: InChI=1/C12H20O4/c1-9(2)7-15-11(13)5-6-12(14)16-8-10(3)4/h5-6,9-10H,7-8H2,1-4H3/b6-5-
(3)InChIKey: RSRICHZMFPHXLE-WAYWQWQTBY
(4)Std. InChI: InChI=1S/C12H20O4/c1-9(2)7-15-11(13)5-6-12(14)16-8-10(3)4/h5-6,9-10H,7-8H2,1-4H3/b6-5-
(5)Std. InChIKey: RSRICHZMFPHXLE-WAYWQWQTSA-N