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| CAS No.: | 92369-80-7 |
|---|---|
| Name: | Naphthalene,1-butyldecahydro- |
| Molecular Structure: | |
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| Formula: | C14H26 |
| Molecular Weight: | 194.36 |
| Synonyms: | Naphthalene,1-butyldecahydro-;1-(Butyldecahydro)naphthalene;aphthalene, 1-butyldecahydro- |
| Density: | 0.849 g/cm3 |
| Boiling Point: | 263.857 °C at 760 mmHg |
| Flash Point: | 102.77 °C |
| PSA: | 0.00000 |
| LogP: | 4.78310 |
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Specification
The 1-Butyldecahydronaphthalene is an organic compound with the formula C14H2. The IUPAC name of this chemical is 1-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene. With the CAS registry number 92369-80-7, it is also named as naphthalene, 1-butyldecahydro-.
Physical properties about 1-Butyldecahydronaphthalene are: (1)ACD/LogP: 6.88; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.879; (4)ACD/LogD (pH 7.4): 6.879; (5)ACD/BCF (pH 5.5): 99565.5; (6)ACD/BCF (pH 7.4): 99565.5; (7)ACD/KOC (pH 5.5): 131590.641; (8)ACD/KOC (pH 7.4): 131590.641; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.46; (11)Molar Refractivity: 62.762 cm3; (12)Molar Volume: 229.013 cm3; (13)Polarizability: 24.881×10-24cm3; (14)Surface Tension: 29.3 dyne/cm; (15)Density: 0.849 g/cm3; (16)Flash Point: 102.77 °C; (17)Enthalpy of Vaporization: 48.147 kJ/mol; (18)Boiling Point: 263.857 °C at 760 mmHg; (19)Vapour Pressure: 0.016 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCCCC1CCCC2C1CCCC2
(2)InChI: InChI=1/C14H26/c1-2-3-7-12-9-6-10-13-8-4-5-11-14(12)13/h12-14H,2-11H2,1H3
(3)InChIKey: SVAKAMBIIAHLSL-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C14H26/c1-2-3-7-12-9-6-10-13-8-4-5-11-14(12)13/h12-14H,2-11H2,1H3
(5)Std. InChIKey: SVAKAMBIIAHLSL-UHFFFAOYSA-N