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CAS No.: | 22608-45-3 |
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Name: | 4,4'-Dihydroxytolan |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C14H10O2 |
Molecular Weight: | 210.232 |
Synonyms: | Phenol, 4,4'-ethynylenedi- (6CI,7CI,8CI);4,4'-Dihydroxydiphenylacetylene;1,2-Bis(4-hydroxyphenyl)ethyne;4,4'-Ethynylenediphenol;1,2-Bis(4-hydroxyphenyl)acetylene;1,2-Bis(p-hydroxyphenyl)acetylene; |
Density: | 1.308 g/cm3 |
Melting Point: | 214.6-215.1 °C |
Boiling Point: | 420.559 °C at 760 mmHg |
Flash Point: | 208.923 °C |
PSA: | 40.46000 |
LogP: | 2.49760 |
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The 4,4'-Dihydroxytolan, with the CAS registry number 22608-45-3, is also known as 1,2-Bis(4-hydroxyphenyl)ethyne. This chemical's molecular formula is C14H10O2 and molecular weight is 210.23. What's more, its systematic name is 4,4'-(1,2-Ethynediyl)diphenol.
Physical properties of 4,4'-Dihydroxytolan are: (1)ACD/LogP: 3.307; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.31; (4)ACD/LogD (pH 7.4): 3.30; (5)ACD/BCF (pH 5.5): 192.10; (6)ACD/BCF (pH 7.4): 190.33; (7)ACD/KOC (pH 5.5): 1500.19; (8)ACD/KOC (pH 7.4): 1486.31; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 40.46 Å2; (13)Index of Refraction: 1.695; (14)Molar Refractivity: 61.791 cm3; (15)Molar Volume: 160.765 cm3; (16)Polarizability: 24.496×10-24cm3; (17)Surface Tension: 70.2 dyne/cm; (18)Density: 1.308 g/cm3; (19)Flash Point: 208.923 °C; (20)Enthalpy of Vaporization: 70.058 kJ/mol; (21)Boiling Point: 420.559 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: C(#Cc1ccc(O)cc1)c2ccc(O)cc2
(2)Std. InChI: InChI=1S/C14H10O2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10,15-16H
(3)Std. InChIKey: YAPDVYKTEDPFBG-UHFFFAOYSA-N