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6634-34-0

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Basic Information
CAS No.: 6634-34-0
Name: Aceticacid, 2,2'-oxybis-, dioctyl ester (9CI)
Molecular Structure:
Molecular Structure of 6634-34-0 (Aceticacid, 2,2'-oxybis-, dioctyl ester (9CI))
Formula: C20H38O5
Molecular Weight: 358.51
Synonyms: Aceticacid, oxydi-, dioctyl ester (8CI);Dioctyl diglycolate;KP 220;NSC 51836;Dioctyl 2,2'-oxydiacetate;AC1L6ACD;AC1Q678F;AR-1I5926;CID242858;Octyl 2-(2-octoxy-2-oxoethoxy)acetate;
Density: 0.963 g/cm3
Boiling Point: 437 °C at 760 mmHg
Flash Point: 185.1 °C
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Specification

The Aceticacid, 2,2'-oxybis-, dioctyl ester (9CI) with CAS registry number of 6634-34-0 is also known as Aceticacid, oxydi-, dioctyl ester (8CI). The IUPAC name is Octyl 2-(2-octoxy-2-oxoethoxy)acetate. In addition, the formula is C20H38O5 and the molecular weight is 358.51.

Physical properties about Aceticacid, 2,2'-oxybis-, dioctyl ester (9CI) are: (1)ACD/LogP: 8.04; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 20; (6)Polar Surface Area: 61.83Å2; (7)Index of Refraction: 1.45; (8)Molar Refractivity: 100 cm3; (9)Molar Volume: 371.9 cm3; (10)Polarizability: 39.64×10-24cm3; (11)Surface Tension: 33.8 dyne/cm; (12)Density: 0.963 g/cm3; (13)Flash Point: 185.1 °C; (14)Enthalpy of Vaporization: 69.35 kJ/mol; (15)Boiling Point: 437 °C at 760 mmHg; (16)Vapour Pressure: 7.74E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: O=C(OCCCCCCCC)COCC(=O)OCCCCCCCC
2. InChI: InChI=1/C20H38O5/c1-3-5-7-9-11-13-15-24-19(21)17-23-18-20(22)25-16-14-12-10-8-6-4-2/h3-18H2,1-2H3
3. InChIKey: RIDUWSCSWADNHH-UHFFFAOYAP
4. Std. InChI: InChI=1S/C20H38O5/c1-3-5-7-9-11-13-15-24-19(21)17-23-18-20(22)25-16-14-12-10-8-6-4-2/h3-18H2,1-2H3
5. Std. InChIKey: RIDUWSCSWADNHH-UHFFFAOYSA-N