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Phosphorous acid,diisooctyl phenyl ester

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Name Phosphorous acid,diisooctyl phenyl ester EINECS 247-776-9
CAS No. 26544-22-9 Density
Solubility Melting Point
Formula C22H39O3P Boiling Point 415.1 °C at 760 mmHg
Molecular Weight 382.517021 Flash Point 253.8 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 26544-22-9 (Phosphorous acid,diisooctyl phenyl ester) Hazard Symbols
Synonyms

Isooctylphenyl phosphite ((C8H17O)2(PhO)P) (7CI);Isooctyl alcohol, phenyl phosphite(2:1) (8CI);Diisooctyl phenyl phosphite;Phenyldiisooctyl phosphite;

 

Specification

The Phosphorous acid,diisooctyl phenyl ester, with the CAS registry number 26544-22-9 and EINECS registry number 247-776-9, has the IUPAC name of bis(6-methylheptyl) phenyl phosphite. It is also called Diisooctyl phenyl phosphite, and the molecular formula of this chemical is C22H39O3P.

The physical properties of Phosphorous acid,diisooctyl phenyl ester are as followings: (1)ACD/LogP: 11.00; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 11; (4)ACD/LogD (pH 7.4): 11; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 41.28 Å2; (13)Flash Point: 253.8 °C; (14)Enthalpy of Vaporization: 64.22 kJ/mol; (15)Boiling Point: 415.1 °C at 760 mmHg; (16)Vapour Pressure: 1.02E-06 mmHg at 25°C.   

You can still convert the following datas into molecular structure:
(1)SMILES: O(P(Oc1ccccc1)OCCCCCC(C)C)CCCCCC(C)C
(2)InChI: InChI=1/C22H39O3P/c1-20(2)14-8-6-12-18-23-26(25-22-16-10-5-11-17-22)24-19-13-7-9-15-21(3)4/h5,10-11,16-17,20-21H,6-9,12-15,18-19H2,1-4H3
(3)InChIKey: GPKQLHLOONCFDY-UHFFFAOYAG

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