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| CAS No.: | 770-69-4 |
|---|---|
| Name: | 1-ETHYLADAMANTANE |
| Article Data: | 42 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C12H20 |
| Molecular Weight: | 164.291 |
| Synonyms: | 1-Ethyladamantane; |
| Density: | 0.956 g/cm3 |
| Melting Point: | -57.7℃ |
| Boiling Point: | 214.1 °C at 760 mmHg |
| Flash Point: | 69.7 °C |
| PSA: | 0.00000 |
| LogP: | 3.61280 |
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Specification
The Tricyclo[3.3.1.13,7]decane,1-ethyl-, with the CAS registry number of 770-69-4, is also known as 1-Ethyladamantane. Its molecular formula is C12H20 and molecular weight is 164.29. What's more, its systematic name is 1-Ethyltricyclo[3.3.1.13,7]decane.
Physical properties about the Tricyclo[3.3.1.13,7]decane,1-ethyl- are: (1)ACD/LogP: 5.23; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.23; (4)ACD/LogD (pH 7.4): 5.23; (5)ACD/BCF (pH 5.5): 5579.65; (6)ACD/BCF (pH 7.4): 5579.65; (7)ACD/KOC (pH 5.5): 16726.8; (8)ACD/KOC (pH 7.4): 16726.8; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.51; (14)Molar Refractivity: 51.44 cm3; (15)Molar Volume: 171.7 cm3; (16)Surface Tension: 37.4 dyne/cm; (17)Density: 0.956 g/cm3; (18)Flash Point: 69.7 °C; (19)Enthalpy of Vaporization: 43.21 kJ/mol; (20)Boiling Point: 214.1 °C at 760 mmHg; (21)Vapour Pressure: 0.232 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: C1C3CC2(CC(CC1C2)C3)CC
(2) InChI: InChI=1/C12H20/c1-2-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,2-8H2,1H3
(3) InChIKey: LXTHCCWEYOKFSR-UHFFFAOYAF