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26748-41-4

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Basic Information
CAS No.: 26748-41-4
Name: tert-Butyl peroxyneodecanoate
Molecular Structure:
Molecular Structure of 26748-41-4 (tert-Butyl peroxyneodecanoate)
Formula: C14H28O3
Molecular Weight: 244.37
Synonyms: Peroxyneodecanoicacid, tert-butyl ester (8CI);Esperox 33;Esperox 33M;Lup 10;Luperox 10;Luperox 10M75;Lupersol 10;Lupersol 10M75;Perbutyl ND;Trigonox 23;Trigonox23C70;Trigonox 23C75;Trigonox 23W50;tert-Butyl perneodecanoate;tert-Butylperoxyneodecanoate;
EINECS: 247-955-1
Density: 0.905 g/cm3
Boiling Point: 276.9 °C at 760 mmHg
Flash Point: 74.9 °C
Solubility: 13mg/L at 25℃
PSA: 51.36000
LogP: 3.59270
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Specification

This chemical is called Neodecaneperoxoic acid, 1,1-dimethylethyl ester, and its systematic name is tert-butyl 2-ethyl-2,5-dimethylhexaneperoxoate. With the molecular formula of C14H28O3, its molecular weight is 244.37. The CAS registry number of this chemical is 26748-41-4.

Other characteristics of the Neodecaneperoxoic acid, 1,1-dimethylethyl ester can be summarised as followings: (1)ACD/LogP: 5.28; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.28; (4)ACD/LogD (pH 7.4): 5.28; (5)ACD/BCF (pH 5.5): 6087.35; (6)ACD/BCF (pH 7.4): 6087.35; (7)ACD/KOC (pH 5.5): 17802.68; (8)ACD/KOC (pH 7.4): 17802.68; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.434; (14)Molar Refractivity: 70.31 cm3; (15)Molar Volume: 269.9 cm3; (16)Polarizability: 27.87×10-24cm3; (17)Surface Tension: 28 dyne/cm; (18)Density: 0.905 g/cm3; (19)Flash Point: 74.9 °C; (20)Enthalpy of Vaporization: 51.54 kJ/mol; (21)Boiling Point: 276.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00467 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: CC(C)(C)OOC(=O)C(C)(CCC(C)C)CC
2.InChI: InChI=1/C14H28O3/c1-8-14(7,10-9-11(2)3)12(15)16-17-13(4,5)6/h11H,8-10H2,1-7H3
3.InChIKey: UJPBHKAGZFOZKS-UHFFFAOYAI