Molecular Structure of Hexadecanoic-9,9-D2 acid (CAS No.272442-14-5):
Molecular Formula: C16H30D2O2
Molecular Weight: 258.4364
CAS No: 272442-14-5
Systematic Name: (9,9-~2~H_2_)Hexadecanoic acid
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 14
Polar Surface Area: 37.3 Å2
Index of Refraction: 1.454
Molar Refractivity: 77.739 cm3
Molar Volume: 287.269 cm3
Surface Tension: 33.382 dyne/cm
Density: 0.9 g/cm3
Flash Point: 154.12 °C
Enthalpy of Vaporization: 61.657 kJ/mol
Boiling Point: 340.616 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
InChI: InChI=1/C16H30D2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/i8D2
InChIKey: IPCSVZSSVZVIGE-MGVXTIMCEI
Std. InChI: InChI=1S/C16H30D2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/i8D2
Std. InChIKey: IPCSVZSSVZVIGE-MGVXTIMCSA-N
Hexadecanoic-9,9-D2 acid (CAS No.272442-14-5), its synonyms are (9,9-~2~H_2_)Hexadecanoic acid ; Hexadecanoic-9,9-d_2_ acid .
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