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Name |
Octadecanoic acid,iron(3+) salt (3:1) |
EINECS | 209-095-5 |
CAS No. | 555-36-2 | Density | 0.849g/mLat 25°C(lit.) |
PSA | 78.90000 | LogP | 18.76370 |
Solubility | N/A | Melting Point |
0-5.0°C(lit.) |
Formula | C54H105FeO6 | Boiling Point | 359.4 °C at 760 mmHg |
Molecular Weight | 906.271 | Flash Point | 162.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | R38 | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Octadecanoicacid, iron(3+) salt (9CI);Stearic acid, iron(3+) salt (8CI);Ferric stearate;Ferric tristearate;Iron tristearate;Iron(III) stearate; |
Article Data | 8 |
The Octadecanoic acid,iron(3+) salt (3:1), with the CAS registry number 555-36-2 and EINECS registry number 209-095-5, has the systematic name of iron(3+) trioctadecanoate. It belongs to the following product categories: Organic-metal salt; Classes of Metal Compounds; Fe (Iron) Compounds; Transition Metal Compounds. And the molecular formula of the chemical is C54H105FeO6.
The characteristics of Octadecanoic acid,iron(3+) salt (3:1) are 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.
Preparation and uses of Octadecanoic acid,iron(3+) salt (3:1): It can be prepared by Stearic acid sodium soap and Ferric chloride solution. And it is always used as photodegradation polyolefin film products, such as Agricultural film, Shopping bags and Garbage bags.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Fe+3].[O-]C(=O)CCCCCCCCCCCCCCCCC.[O-]C(=O)CCCCCCCCCCCCCCCCC.[O-]C(=O)CCCCCCCCCCCCCCCCC
(2)InChI: InChI=1/3C18H36O2.Fe/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*2-17H2,1H3,(H,19,20);/q;;;+3/p-3
(3)InChIKey: XHQSLVIGPHXVAK-DFZHHIFOAL