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| CAS No.: | 63221-88-5 |
|---|---|
| Name: | 1-(4-ETHYLPHENYL)-2-(4-METHOXYPHENYL)ACETYLENE |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C17H16O |
| Molecular Weight: | 236.313 |
| Synonyms: | Benzene,1-ethyl-4-[(4-methoxyphenyl)ethynyl]- (9CI);4-Methoxy-4'-ethyltolan;PTP 2O1;p-Methoxy-p'-ethyltolan; |
| Density: | 1.06 g/cm3 |
| Melting Point: | 35℃(N) |
| Boiling Point: | 363.5 °C at 760 mmHg |
| Flash Point: | 171 °C |
| PSA: | 9.23000 |
| LogP: | 3.65740 |
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- Total:23 Page 1 of 1 1
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Specification
The Benzene, 1-ethyl-4-[2-(4-methoxyphenyl)ethynyl]-, with the CAS registry number 63221-88-5, is also known as 4-[(4-Ethylphenyl)ethynyl]phenyl methyl ether. This chemical's molecular formula is C17H16O and molecular weight is 236.31. What's more, its systematic name is 1-Ethyl-4-[(4-methoxyphenyl)ethynyl]benzene. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be kept away from oxidant.
Physical properties about Benzene, 1-ethyl-4-[2-(4-methoxyphenyl)ethynyl]- are: (1)ACD/LogP: 5.69; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.69; (4)ACD/LogD (pH 7.4): 5.69; (5)ACD/BCF (pH 5.5): 12358.43; (6)ACD/BCF (pH 7.4): 12358.43; (7)ACD/KOC (pH 5.5): 29553.97; (8)ACD/KOC (pH 7.4): 29553.97; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 74.35 cm3; (15)Molar Volume: 220.9 cm3; (16)Polarizability: 29.47×10-24 cm3; (17)Surface Tension: 44.8 dyne/cm; (18)Density: 1.06 g/cm3; (19)Flash Point: 171 °C; (20)Enthalpy of Vaporization: 58.56 kJ/mol; (21)Boiling Point: 363.5 °C at 760 mmHg; (22)Vapour Pressure: 3.76E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: C(#Cc1ccc(cc1)CC)c2ccc(OC)cc2
(2) InChI: InChI=1/C17H16O/c1-3-14-4-6-15(7-5-14)8-9-16-10-12-17(18-2)13-11-16/h4-7,10-13H,3H2,1-2H3
(3) InChIKey: YWDALJMLXXWXFP-UHFFFAOYAG