Basic information
- Name:
Benzoic acid,4,4'-(1E)-1,2-ethenediylbis-, 1,1'-dimethyl ester
- CAS No.:
34541-73-6
- Molecular Structure:
- Formula:
- C18H16O4
- Molecular Weight:
- 296.32
- Synonyms:
- Benzoicacid, 4,4'-(1,2-ethenediyl)bis-, dimethyl ester, (1E)-;Benzoic acid,4,4'-(1E)-1,2-ethenediylbis-, dimethyl ester (9CI);Dimethyltrans-4,4'-stilbenedicarboxylate;Dimethyl trans-stilbene-4,4'-dicarboxylate;
- Density:
- 1.192 g/cm3
- Melting Point:
- 234-236 °C
- Boiling Point:
- 448.3 °C at 760 mmHg
- Flash Point:
- 226.3 °C
- Safety Description:
- 24-25 Details
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Specification
The Benzoic acid,4,4'-(1E)-1,2-ethenediylbis-, 1,1'-dimethyl ester, with the CAS registry number 34541-73-6, has the systematic name of dimethyl 4,4'-(E)-ethene-1,2-diyldibenzoate. This chemical belongs to the categories which are Stilbenes. When you are dealing with this chemical, avoid contacting with skin and eyes.
The characteristics of this chemical are as follows: (1)ACD/LogP: 4.79; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6 ; (6)Polar Surface Area: 52.6; (7)Index of Refraction: 1.619; (8)Molar Refractivity: 87.19 cm3; (9)Molar Volume: 248.4 cm3; (10)Polarizability: 34.56×10-24 cm3; (11)Surface Tension: 47.3 dyne/cm; (12)Density: 1.192 g/cm3; (13)Flash Point: 226.3 °C; (14)Enthalpy of Vaporization: 70.68 kJ/mol; (15)Boiling Point: 448.3 °C at 760 mmHg; (16)Vapour Pressure: 3.14E-08 mmHg at 25°C.
In addition, you could convert the following datas into the molecular structure:
(1)SMILES:O=C(OC)c2ccc(\C=C\c1ccc(C(=O)OC)cc1)cc2
(2)InChI:InChI=1/C18H16O4/c1-21-17(19)15-9-5-13(6-10-15)3-4-14-7-11-16(12-8-14)18(20)22-2/h3-12H,1-2H3/b4-3+
(3)InChIKey:JOODVYOWCWQPMV-ONEGZZNKBX
