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| CAS No.: | 83883-26-5 |
|---|---|
| Name: | 4-(6-ACRYLOXY-HEX-1-YLOXY)BENZOIC ACID |
| Article Data: | 28 |
| Molecular Structure: | |
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| Formula: | C16H20O5 |
| Molecular Weight: | 292.332 |
| Synonyms: | Benzoicacid, 4-[[6-[(1-oxo-2-propenyl)oxy]hexyl]oxy]- (9CI);4-(6-Acryloyloxyhex-1-yloxy)benzoic acid;4-(6-Acryloyloxyhexyloxy)benzoicacid;4-(Acryloyloxyhexyloxy)benzoic acid;4-(w-Acryloyloxyhexyloxy)benzoic acid;4-[6-Acryloylhexyloxy]benzoic acid; |
| Density: | 1.139 g/cm3 |
| Melting Point: | 92-93 °C(Solv: ethanol (64-17-5)) |
| Boiling Point: | 446.9 °C at 760 mmHg |
| Flash Point: | 160.4 °C |
| PSA: | 72.83000 |
| LogP: | 3.05320 |
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Specification
The 4-(6-Acryloxyhexyl-1-oxy)benzoic acid with CAS registry number of 83883-26-5 is also known as Benzoic acid, 4-[[6-[(1-oxo-2-propen-1-yl)oxy]hexyl]oxy]-. The systematic name is 4-{[6-(Acryloyloxy)hexyl]oxy}benzoic acid. In addition, the formula is C16H20O5 and the molecular weight is 292.33.
Physical properties about 4-(6-Acryloxyhexyl-1-oxy)benzoic acid are: (1)ACD/LogP: 4.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.06; (4)ACD/LogD (pH 7.4): 1.4; (5)ACD/BCF (pH 5.5): 69.7; (6)ACD/BCF (pH 7.4): 1.52; (7)ACD/KOC (pH 5.5): 362.75; (8)ACD/KOC (pH 7.4): 7.9; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 11; (12)Index of Refraction: 1.523; (13)Molar Refractivity: 78.42 cm3; (14)Molar Volume: 256.5 cm3; (15)Surface Tension: 43.2 dyne/cm; (16)Density: 1.139 g/cm3; (17)Flash Point: 160.4 °C; (18)Enthalpy of Vaporization: 74.31 kJ/mol; (19)Boiling Point: 446.9 °C at 760 mmHg; (20)Vapour Pressure: 9.03E-09 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: O=C(O)c1ccc(OCCCCCCOC(=O)\C=C)cc1
2. InChI: InChI=1/C16H20O5/c1-2-15(17)21-12-6-4-3-5-11-20-14-9-7-13(8-10-14)16(18)19/h2,7-10H,1,3-6,11-12H2,(H,18,19)
3. InChIKey: FLPSQLAEXYKMGQ-UHFFFAOYAG