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CAS No.: | 52505-39-2 |
---|---|
Name: | Diprop-2-enyl 2-benzylidenepropanedioate |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C16H16O4 |
Molecular Weight: | 272.301 |
Synonyms: | diprop-2-enyl 2-benzylidenepropanedioate |
Density: | 1.12g/cm3 |
Boiling Point: | 352.7 °C at 760 mmHg |
Flash Point: | 168.8 °C |
PSA: | 52.60000 |
LogP: | 2.52840 |
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The Diprop-2-enyl 2-benzylidenepropanedioate, with CAS registry number 52505-39-2, has the systematic name of diprop-2-en-1-yl benzylidenepropanedioate. And the chemical formula of this chemical is C16H16O4. Its molecular weight is 272.2958.
Physical properties of Diprop-2-enyl 2-benzylidenepropanedioate: (1)ACD/LogP: 3.68; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 9; (6)Polar Surface Area: 52.6 Å2; (7)Index of Refraction: 1.55; (8)Molar Refractivity: 77.41 cm3; (9)Molar Volume: 242.9 cm3; (10)Polarizability: 30.68×10-24cm3; (11)Surface Tension: 40.3 dyne/cm; (12)Density: 1.12 g/cm3; (13)Flash Point: 168.8 °C; (14)Enthalpy of Vaporization: 59.75 kJ/mol; (15)Boiling Point: 352.7 °C at 760 mmHg; (16)Vapour Pressure: 3.78E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC\C=C)C(/C(=O)OC\C=C)=C\c1ccccc1
(2)InChI: InChI=1/C16H16O4/c1-3-10-19-15(17)14(16(18)20-11-4-2)12-13-8-6-5-7-9-13/h3-9,12H,1-2,10-11H2
(3)InChIKey: GBWQETCVMFHVBQ-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C16H16O4/c1-3-10-19-15(17)14(16(18)20-11-4-2)12-13-8-6-5-7-9-13/h3-9,12H,1-2,10-11H2
(5)Std. InChIKey: GBWQETCVMFHVBQ-UHFFFAOYSA-N