1259-23-0

This chemical has the systematic name Calcium dioctadecanoate. With the CAS registry number 1259-23-0, it's also named as Calcium stearate. Its molecular formula is C₃₆H₇₀CaO₄ and its systematic name is calcium dioctadecanoate. Additionally, it can be founded in some lubricants and surfactants and it is a white waxy powder that used as the main component of soap scum.

Other characteristics of the Calcium dioctadecanoate can be summarised as followings: (1)ACD/LogP: 8.22; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.42; (4)ACD/LogD (pH 7.4): 5.63; (5)ACD/BCF (pH 5.5): 165268.91; (6)ACD/BCF (pH 7.4): 2651.33; (7)ACD/KOC (pH 5.5): 112327.87; (8)ACD/KOC (pH 7.4): 1802.02; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 37.3 Å²; (13)Flash Point: 162.4 °C; (14)Enthalpy of Vaporization: 63.84 kJ/mol; (15)Boiling Point: 359.4 °C at 760 mmHg; (16)Vapour Pressure: 8.58E-06 mmHg at 25°C.

Production method of Calcium dioctadecanoate: It is produced by heating stearic acid, a fatty acid, and calcium oxide, the reaction equation is as following: 2C₁₇H₃₄COOH+CaO→(C₁₇H₃₄COO)₂Ca+H₂O

You can still convert the following datas into molecular structure: 
1.SMILES: [Ca+2].[O-]C(=O)CCCCCCCCCCCCCCCCC.[O-]C(=O)CCCCCCCCCCCCCCCCC
2.InChI: InChI=1/2C18H36O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2
3.InChIKey: CJZGTCYPCWQAJB-NUQVWONBAL