CAS No.36076-26-3,1,4-PHENYLENEDIACETIC ACID DIETHYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	36076-26-3
Name:	1,4-PHENYLENEDIACETIC ACID DIETHYL ESTER
Article Data:	7

Formula:	C₁₄H₁₈O₄
Molecular Weight:	250.295
Synonyms:	1,4-Benzenediaceticacid, diethyl ester (9CI);p-Benzenediacetic acid, diethyl ester (6CI);Diethyl1,4-benzenediacetate;NSC 139681;p-Phenylenediacetic acid diethyl ester;
Density:	1.097 g/cm³
Melting Point:	59 °C
Boiling Point:	334.5 °C at 760 mmHg
Flash Point:	160.1 °C
PSA:	52.60000
LogP:	1.89780

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Specification

The 1,4-Benzenediaceticacid, 1,4-diethyl ester, with the CAS registry number 36076-26-3, has the systematic name of diethyl 2,2'-benzene-1,4-diyldiacetate. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₄H₁₈O₄.

The characteristics of 1,4-Benzenediaceticacid, 1,4-diethyl ester are as followings: (1)ACD/LogP: 2.78; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 52.6 Å²; (7)Index of Refraction: 1.503; (8)Molar Refractivity: 67.43 cm³; (9)Molar Volume: 228 cm³; (10)Polarizability: 26.73×10^-24cm³; (11)Surface Tension: 38.7 dyne/cm; (12)Density: 1.097 g/cm³; (13)Flash Point: 160.1 °C; (14)Enthalpy of Vaporization: 57.74 kJ/mol; (15)Boiling Point: 334.5 °C at 760 mmHg; (16)Vapour Pressure: 0.000128 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCC)Cc1ccc(cc1)CC(=O)OCC
(2)InChI: InChI=1/C14H18O4/c1-3-17-13(15)9-11-5-7-12(8-6-11)10-14(16)18-4-2/h5-8H,3-4,9-10H2,1-2H3
(3)InChIKey: JRSOAUOHTHOAOP-UHFFFAOYAL