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Molecular Structure of (trans,trans)-4'-Propyl-[1,1'-bicyclohexyl]-4-methanol (CAS No.82562-85-4):
Molecular Formula: C16H30O
Molecular Weight: 238.4088
CAS No: 82562-85-4
H bond acceptors: 1
H bond donors: 1
Freely Rotating Bonds: 5
Polar Surface Area: 9.23 Å2
Index of Refraction: 1.479
Molar Refractivity: 73.57 cm3
Molar Volume: 259.2 cm3
Surface Tension: 35.2 dyne/cm
Density: 0.919 g/cm3
Flash Point: 156.5 °C
Enthalpy of Vaporization: 66.84 kJ/mol
Boiling Point: 334 °C at 760 mmHg
Vapour Pressure: 9.33E-06 mmHg at 25°C
InChI: InChI=1/C16H30O/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16/h13-17H,2-12H2,1H3
InChIKey: ALAOSSIICXVRMS-UHFFFAOYAV
Std. InChI: InChI=1S/C16H30O/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16/h13-17H,2-12H2,1H3
Std. InChIKey: ALAOSSIICXVRMS-UHFFFAOYSA-N
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