-
Name
Diamantan-1-ol
- EINECS
- CAS No. 30545-14-3
- Density 1.244 g/cm3
- Solubility
- Melting Point
- Formula C14H20O
- Boiling Point 327.6 °C at 760 mmHg
- Molecular Weight 204.308
- Flash Point 137.9 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms AC1L3JDH;
- PSA 20.23000
- LogP 2.43950
Diamantan-1-ol Specification
The Diamantan-1-ol, with the CAS registry number 30545-14-3, is also known as 1-Diamantanol. This chemical's molecular formula is C14H20O and molecular weight is 204.308. Its systematic name is called pentacyclo[7.3.1.14,12.02,7.06,11]tetradecan-1-ol(non-preferred name).
Physical properties of Diamantan-1-ol: (1)ACD/LogP: 3.00; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 112.26; (5)ACD/BCF (pH 7.4): 112.26; (6)ACD/KOC (pH 5.5): 1021.34; (7)ACD/KOC (pH 7.4): 1021.34; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.627; (12)Molar Refractivity: 58.26 cm3; (13)Molar Volume: 164.1 cm3; (14)Surface Tension: 54 dyne/cm; (15)Density: 1.244 g/cm3; (16)Flash Point: 137.9 °C; (17)Enthalpy of Vaporization: 66.04 kJ/mol; (18)Boiling Point: 327.6 °C at 760 mmHg; (19)Vapour Pressure: 1.51E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C2CC3C4C1C5CC(C4)CC3(C5C2)O
(2)InChI: InChI=1S/C14H20O/c15-14-6-8-2-10-9-1-7(4-12(10)14)5-13(14)11(9)3-8/h7-13,15H,1-6H2
(3)InChIKey: ZTONXKOBHDGNKB-UHFFFAOYSA-N
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