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2915-57-3

Basic Information
CAS No.: 2915-57-3
Name: Butanedioic acid,1,4-bis(2-ethylhexyl) ester
Molecular Structure:
Molecular Structure of 2915-57-3 (Butanedioic acid,1,4-bis(2-ethylhexyl) ester)
Formula: C20H38O4
Molecular Weight: 342.51332
Synonyms: Butanedioicacid, bis(2-ethylhexyl) ester (9CI);Succinic acid, bis(2-ethylhexyl) ester(6CI,7CI,8CI);Bis(2-ethylhexyl) succinate;Crodamol OSU;Di-2-ethylhexylsuccinate;Dioctyl succinate;Wickenol 159;
EINECS: 220-836-1
Density: 0.934 g/cm3
Melting Point:
Boiling Point: 358.9 °C at 760 mmHg
Flash Point: 158 °C
Solubility:
Appearance:
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 52.60000
LogP: 5.28580
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  • Butanedioic acid,1,4-bis(2-ethylhexyl) ester

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    2915-57-3

    Butanedioic acid,1,4-bis(2-ethylhexyl) ester

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Specification

The Butanedioic acid,1,4-bis(2-ethylhexyl) ester, with the CAS registry number 2915-57-3, is also known as Di-(2-ethylhexyl) succinate and Succinic acid, bis(2-ethylhexyl) ester. Its EINECS registry number is 220-836-1. This chemical's molecular formula is C20H38O4 and molecular weight is 342.51332. What's more, both its IUPAC name and systematic name are the same which is called Bis(2-ethylhexyl) butanedioate.

Physical properties about Butanedioic acid,1,4-bis(2-ethylhexyl) ester are: (1)ACD/LogP: 7.27; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.27; (4)ACD/LogD (pH 7.4): 7.27; (5)ACD/BCF (pH 5.5): 196953.63; (6)ACD/BCF (pH 7.4): 196953.63; (7)ACD/KOC (pH 5.5): 214428.08; (8)ACD/KOC (pH 7.4): 214428.08; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 17; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.448; (14)Molar Refractivity: 98.17 cm3; (15)Molar Volume: 366.3 cm3; (16)Polarizability: 38.91×10-24 cm3; (17)Surface Tension: 32 dyne/cm; (18)Density: 0.934 g/cm3; (19)Flash Point: 158 °C; (20)Enthalpy of Vaporization: 60.45 kJ/mol; (21)Boiling Point: 358.9 °C at 760 mmHg; (22)Vapour Pressure: 2.46E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC(CC)CCCC)CCC(=O)OCC(CCCC)CC
(2) InChI: InChI=1/C20H38O4/c1-5-9-11-17(7-3)15-23-19(21)13-14-20(22)24-16-18(8-4)12-10-6-2/h17-18H,5-16H2,1-4H3
(3) InChIKey: WMNULTDOANGXRT-UHFFFAOYAF