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| CAS No.: | 125248-71-7 |
|---|---|
| Name: | 1,4-Bis-[4-(6-acryloyloxyhexyloxy)benzoyloxy]-2-methylbenzene |
| Molecular Structure: | |
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| Formula: | C39H44O10 |
| Molecular Weight: | 672.772 |
| Synonyms: | 2-Methylbenzene-1,4-diyl bis(4-{[6-(acryloyloxy)hexyl]oxy}benzoate);2-Methyl-1,4-phenylene bis(4-{[6-(acryloyloxy)hexyl]oxy}benzoate);Benzoic acid, 4-[[6-[(1-oxo-2-propen-1-yl)oxy]hexyl]oxy]-, 2-methyl-1,4-phenylene ester; |
| Density: | 1.156 g/cm3 |
| Boiling Point: | 779.2 °C at 760 mmHg |
| Flash Point: | 314.5 °C |
| PSA: | 114.43000 |
| LogP: | 7.93390 |
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Specification
The Benzoic acid,4-[[6-[(1-oxo-2-propenyl)oxy]- hexyl]oxy]-,2-methyl-1,4-phenylene ester, with the CAS registry number 125248-71-7, is also known as 1, 4-Bis-[4-(6-acryloyloxyhexyloxy)benzoyloxy]-2-methylbenzene. Its molecular formula is C39H44O10 and its molecular weight is 672.760660. Moreover, it has the IUPAC name [3-methyl-4-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate.
Other characteristics of the Benzoic acid,4-[[6-[(1-oxo-2-propenyl)oxy]- hexyl]oxy]-,2-methyl-1,4-phenylene ester can be summarised as followings: (1)ACD/LogP: 10.17; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 10.17; (4)ACD/LogD (pH 7.4): 10.17; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 8088605; (8)ACD/KOC (pH 7.4): 8088605; (9)#H bond acceptors: 10; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 26; (12)Polar Surface Area: 123.66 Å2; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 184.85 cm3; (15)Molar Volume: 581.8 cm3; (16)Polarizability: 73.28×10-24cm3; (17)Surface Tension: 43.8 dyne/cm; (18)Density: 1.156 g/cm3; (19)Flash Point: 314.5 °C; (20)Enthalpy of Vaporization: 113.39 kJ/mol; (21)Boiling Point: 779.2 °C at 760 mmHg; (22)Vapour Pressure: 3.19E-24 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(Oc1ccc(cc1C)OC(=O)c2ccc(OCCCCCCOC(=O)C=C)cc2)c3ccc(OCCCCCCOC(=O)C=C)cc3
2.InChI: InChI=1/C39H44O10/c1-4-36(40)46-26-12-8-6-10-24-44-32-18-14-30(15-19-32)38(42)48-34-22-23-35(29(3)28-34)49-39(43)31-16-20-33(21-17-31)45-25-11-7-9-13-27-47-37(41)5-2/h4-5,14-23,28H,1-2,6-13,24-27H2,3H3
3.InChIKey: FQCKIWWAEIOPSD-UHFFFAOYAS