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27104-14-9

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Basic Information
CAS No.: 27104-14-9
Name: (E)-hexadec-2-enal
Molecular Structure:
Molecular Structure of 27104-14-9 ((E)-hexadec-2-enal)
Formula: C16H32O
Molecular Weight: 240.4247
Synonyms: (E)-hexadec-2-enal
Density: 0.829 g/cm3
Melting Point: 26°C (estimate)
Boiling Point: 297.8 °C at 760 mmHg
Flash Point: 138.9 °C
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Specification

The Hexadecenal is an organic compound with the formula C16H32O. The systematic name of this chemical is Hexadecanal. With the CAS registry number 27104-14-9, it is also named as Palmitaldehyde. Besides, its molecular weight is 240.4247.

Physical properties about Hexadecenal are: (1)ACD/LogP: 7.28; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.28; (4)ACD/LogD (pH 7.4): 7.28; (5)ACD/BCF (pH 5.5): 201668.2; (6)ACD/BCF (pH 7.4): 201668.2; (7)ACD/KOC (pH 5.5): 218089.84; (8)ACD/KOC (pH 7.4): 218089.84; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 14; (11)Polar Surface Area: 17.07 Å2; (12)Index of Refraction: 1.439; (13)Molar Refractivity: 76.36 cm3; (14)Molar Volume: 289.9 cm3; (15)Polarizability: 30.27×10-24 cm3; (16)Surface Tension: 29.8 dyne/cm; (17)Density: 0.829 g/cm3; (18)Flash Point: 138.9 °C; (19)Enthalpy of Vaporization: 53.77 kJ/mol; (20)Boiling Point: 297.8 °C at 760 mmHg; (21)Vapour Pressure: 0.00132 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h16H,2-15H2,1H3
(2)InChIKey: NIOYUNMRJMEDGI-UHFFFAOYAM
(3)Std. InChI: InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h16H,2-15H2,1H3
(4)Std. InChIKey: NIOYUNMRJMEDGI-UHFFFAOYSA-N