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| CAS No.: | 13380-89-7 |
|---|---|
| Name: | octahydro-4,7-methano-1H-inden-5-ol |
| Article Data: | 22 |
| Molecular Structure: | |
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| Formula: | C10H16O |
| Molecular Weight: | 152.236 |
| Synonyms: | 4,7-Methanoindan-5-ol,hexahydro- (6CI,7CI,8CI);Hydroxytetrahydrodicyclopentadiene;NSC 22466;Tricyclo[5.2.1.06,2]decan-9-ol; |
| EINECS: | 236-455-9 |
| Density: | 1.116 g/cm3 |
| Melting Point: | 120-121 °C |
| Boiling Point: | 255.199 °C at 760 mmHg |
| Flash Point: | 105.494 °C |
| PSA: | 20.23000 |
| LogP: | 1.80340 |
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Specification
The Octahydro-4,7-methano-1H-inden-5-ol, with the CAS registry number 13380-89-7, is also known as Tricyclo[5.2.1.06,2]decan-9-ol. Its EINECS number is 236-455-9. This chemical's molecular formula is C10H16O and molecular weight is 152.23. What's more, its systematic name is Tricyclo[5.2.1.02,6]decan-8-ol.
Physical properties of Octahydro-4,7-methano-1H-inden-5-ol are: (1)ACD/LogP: 2.479; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.48; (4)ACD/LogD (pH 7.4): 2.48; (5)ACD/BCF (pH 5.5): 45.05; (6)ACD/BCF (pH 7.4): 45.05; (7)ACD/KOC (pH 5.5): 531.29; (8)ACD/KOC (pH 7.4): 531.29; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 43.813 cm3; (15)Molar Volume: 136.435 cm3; (16)Polarizability: 17.369×10-24cm3; (17)Surface Tension: 40.7 dyne/cm; (18)Density: 1.116 g/cm3; (19)Flash Point: 105.494 °C; (20)Enthalpy of Vaporization: 57.229 kJ/mol; (21)Boiling Point: 255.199 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC3CC1CC3C2CCCC12
(2)Std. InChI: InChI=1S/C10H16O/c11-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-11H,1-5H2
(3)Std. InChIKey: FKZJBAXKHJIQDU-UHFFFAOYSA-N