Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1,4-Benzenediaceticacid, 1,4-diethyl ester |
EINECS | N/A |
CAS No. | 36076-26-3 | Density | 1.097 g/cm3 |
PSA | 52.60000 | LogP | 1.89780 |
Solubility | N/A | Melting Point |
59 °C |
Formula | C14H18O4 | Boiling Point | 334.5 °C at 760 mmHg |
Molecular Weight | 250.295 | Flash Point | 160.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1,4-Benzenediaceticacid, diethyl ester (9CI);p-Benzenediacetic acid, diethyl ester (6CI);Diethyl1,4-benzenediacetate;NSC 139681;p-Phenylenediacetic acid diethyl ester; |
Article Data | 7 |
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