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| CAS No.: | 1572-84-5 |
|---|---|
| Name: | 2-Butene-1,4-diylbutyrate |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C12H20O4 |
| Molecular Weight: | 228.288 |
| Synonyms: | Butanoicacid, 2-butene-1,4-diyl ester (9CI);Butyric acid, 2-butenylene ester(6CI,7CI);2-Butene-1,4-diol dibutyrate; |
| Density: | 1.004 g/cm3 |
| Boiling Point: | 103-104 °C |
| Flash Point: | 142 °C |
| Appearance: | Colorless and transparent liquid |
| PSA: | 52.60000 |
| LogP: | 2.22920 |
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Specification
This chemical is called 2-Butene-1,4-diylbutyrate, and its CAS registry number is 1572-84-5. With the molecular formula of C12H20O4, its molecular weight is 228.28. Additionally, its product category is Industrial / Fine Chemicals.
Other characteristics of the 2-Butene-1,4-diylbutyrate can be summarised as followings: (1)ACD/LogP: 3.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.1; (4)ACD/LogD (pH 7.4): 3.1; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 10; (8)Polar Surface Area: 52.6 Å2; (9)Index of Refraction: 1.451; (10)Molar Refractivity: 61.25 cm3; (11)Molar Volume: 227.1 cm3; (12)Polarizability: 24.28×10-24cm3; (13)Surface Tension: 33.4 dyne/cm; (14)Density: 1.004 g/cm3; (15)Flash Point: 141.8 °C; (16)Enthalpy of Vaporization: 54.27 kJ/mol; (17)Boiling Point: 302.5 °C at 760 mmHg; (18)Vapour Pressure: 0.000985 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: CCCC(=O)OCC=CCOC(=O)CCC
2.InChI: InChI=1/C12H20O4/c1-3-7-11(13)15-9-5-6-10-16-12(14)8-4-2/h5-6H,3-4,7-10H2,1-2H3/b6-5-
3.InChIKey: OGJKSGMVEHGEKF-WAYWQWQTB