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| CAS No.: | 80121-65-9 |
|---|---|
| Name: | 1,3-Bis(2-hydroxyethyl)adamantane |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C14H24O2 |
| Molecular Weight: | 224.343 |
| Synonyms: | 1,3-Bis(2-hydroxyethyl)adamantane; |
| Density: | 1.126 g/cm3 |
| Melting Point: | 117-118℃ |
| Boiling Point: | 351.2 °C at 760 mmHg |
| Flash Point: | 163.6 °C |
| PSA: | 40.46000 |
| LogP: | 2.33780 |
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Specification
The 1,3-Bis(2-hydroxyethyl)adamantane is an organic compound with the formula C14H24O2. The systematic name of this chemical is 2,2'-tricyclo[3.3.1.1~3,7~]decane-1,3-diyldiethanol. With the CAS registry number 80121-65-9, it is also named as Tricyclo[3.3.1.13,7]decane-1,3-diethanol.
Physical properties about 1,3-Bis(2-hydroxyethyl)adamantane are: (1)ACD/LogP: 2.23; (2)#H bond acceptors: 2; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 6; (5)Polar Surface Area: 18.46 Å2; (6)Index of Refraction: 1.553; (7)Molar Refractivity: 63.74 cm3; (8)Molar Volume: 199.1 cm3; (9)Polarizability: 25.27×10-24cm3; (10)Surface Tension: 56.4 dyne/cm; (11)Density: 1.126 g/cm3; (12)Flash Point: 163.6 °C; (13)Enthalpy of Vaporization: 69 kJ/mol; (14)Boiling Point: 351.2 °C at 760 mmHg; (15)Vapour Pressure: 2.47E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OCCC13CC2CC(CC(C1)C2)(C3)CCO
(2)InChI: InChI=1/C14H24O2/c15-3-1-13-6-11-5-12(7-13)9-14(8-11,10-13)2-4-16/h11-12,15-16H,1-10H2
(3)InChIKey: VUROTIPIKUBXPR-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C14H24O2/c15-3-1-13-6-11-5-12(7-13)9-14(8-11,10-13)2-4-16/h11-12,15-16H,1-10H2
(5)Std. InChIKey: VUROTIPIKUBXPR-UHFFFAOYSA-N