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CAS No.: | 295-48-7 |
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Name: | Cyclopentadecane |
Article Data: | 22 |
Molecular Structure: | |
Formula: | C15H30 |
Molecular Weight: | 210.403 |
Synonyms: | CYCLOPENTADECANE |
EINECS: | 206-040-7 |
Density: | 0.79 g/cm3 |
Melting Point: | 64 °C |
Boiling Point: | 300.1 °C at 760 mmHg |
Flash Point: | 124.9 °C |
Hazard Symbols: | Xn,Xi |
Risk Codes: | R20/21/22; R36/37/38 |
PSA: | 0.00000 |
LogP: | 5.85150 |
The CAS register number of Cyclopentadecane is 295-48-7. The molecular formula about this chemical is C15H30 and the molecular weight is 210.4.
Physical properties about Cyclopentadecane are: (1)ACD/LogP: 8.46; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.46; (4)ACD/LogD (pH 7.4): 8.46; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 958369.63; (8)ACD/KOC (pH 7.4): 958369.63; (9)Index of Refraction: 1.433; (10)Molar Refractivity: 69.17 cm3; (11)Molar Volume: 266 cm3; (12)Polarizability: 27.42x10-24cm3; (13)Surface Tension: 25.9 dyne/cm; (14)Density: 0.79 g/cm3; (15)Flash Point: 124.9 °C; (16)Enthalpy of Vaporization: 51.86 kJ/mol; (17)Boiling Point: 300.1 °C at 760 mmHg; (18)Vapour Pressure: 0.00204 mmHg at 25 °C.
Preparation: this chemical can be prepared by 2-Nitrocyclopentadecanone (p-tolylsulfonyl)hydrazone. This reaction will need reagent of LiAlH4 and solvent of tetrahydrofuran. The reaction time is 10 hours with reaction temperature of 60 °C. The yield is about 71%.
You can still convert the following datas into molecular structure:
(1)SMILES: C1CCCCCCCCCCCCCC1
(2)InChI: InChI=1/C15H30/c1-2-4-6-8-10-12-14-15-13-11-9-7-5-3-1/h1-15H2
(3)InChIKey: SRONXYPFSAKOGH-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C15H30/c1-2-4-6-8-10-12-14-15-13-11-9-7-5-3-1/h1-15H2
(5)Std. InChIKey: SRONXYPFSAKOGH-UHFFFAOYSA-N