The Hexadecanoic acid,lithium salt (1:1), with the CAS registry number 20466-33-5, is also known as Palmitic acid lithium salt. Its EINECS registry number is 243-842-6. This chemical's molecular formula is C16H31LiO2 and molecular weight is 262.36. What's more, its systematic name is called Lithium hexadecanoate.
Physical properties about Hexadecanoic acid,lithium salt (1:1) are: (1) ACD/LogP: 7.15; (2) # of Rule of 5 Violations: 1; (3) ACD/LogD (pH 5.5): 6.36; (4) ACD/LogD (pH 7.4): 4.56; (5) ACD/BCF (pH 5.5): 25738.91; (6) ACD/BCF (pH 7.4): 412.92; (7) ACD/KOC (pH 5.5): 29677.7; (8) ACD/KOC (pH 7.4): 476.11; (9) #H bond acceptors: 2; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 14; (12) Polar Surface Area: 37.3 Å2; (13) Flash Point: 154.1 °C; (14) Enthalpy of Vaporization: 61.66 kJ/mol; (15) Boiling Point: 340.6 °C at 760 mmHg; (16) Vapour Pressure: 3.28E-05 mmHg at 25 °C; (17) Melting Point: 226-229 °C.
When you are dealing with this chemical, you should be very careful. The gas of this chemical can not be breathed. You should avoid contacting with skin and eyes.
You can still convert the following datas into molecular structure:
(1) SMILES: [Li+].[O-]C(=O)CCCCCCCCCCCCCCC
(2) InChI: InChI=1/C16H32O2.Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2-15H2,1H3,(H,17,18);/q;+1/p-1
(3) InChIKey: BZMIKKVSCNHEFL-REWHXWOFAU
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