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CAS No.: | 1795-15-9 |
---|---|
Name: | N-OCTYLCYCLOHEXANE |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C14H28 |
Molecular Weight: | 196.376 |
Synonyms: | Octyl-cyclohexan; |
EINECS: | 217-271-8 |
Density: | 0.807 g/cm3 |
Melting Point: | -19.69°C |
Boiling Point: | 264.5 °C at 760 mmHg |
Flash Point: | 105.4 °C |
PSA: | 0.00000 |
LogP: | 5.31730 |
The Cyclohexane, octyl-, with the CAS registry number of 1795-15-9, is also known as Octyl-cyclohexan. Its EINECS registry number is 217-271-8. This chemical's molecular formula is C14H28 and molecular weight is 196.37. What's more, its IUPAC name is Octylcyclohexane.
Physical properties about the Cyclohexane, octyl- are: (1)ACD/LogP: 7.60; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.6; (4)ACD/LogD (pH 7.4): 7.6; (5)ACD/BCF (pH 5.5): 349849.25; (6)ACD/BCF (pH 7.4): 349849.25; (7)ACD/KOC (pH 5.5): 323506.78; (8)ACD/KOC (pH 7.4): 323506.78; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.445; (14)Molar Refractivity: 64.79 cm3; (15)Molar Volume: 243 cm3; (16)Surface Tension: 28.7 dyne/cm; (17)Density: 0.807 g/cm3; (18)Flash Point: 105.4 °C; (19)Enthalpy of Vaporization: 48.22 kJ/mol; (20)Boiling Point: 264.5 °C at 760 mmHg; (21)Vapour Pressure: 0.0158 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: C(CCC1CCCCC1)CCCCC
(2) InChI: InChI=1/C14H28/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h14H,2-13H2,1H3
(3) InChIKey: FBXWCEKQCVOOLT-UHFFFAOYAT