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13756-18-8

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Basic Information
CAS No.: 13756-18-8
Name: (1-phenyl-2-propanoyloxy-ethyl) propanoate
Article Data: 2
Molecular Structure:
Molecular Structure of 13756-18-8 ((1-phenyl-2-propanoyloxy-ethyl) propanoate)
Formula: C14H18O4
Molecular Weight: 250.295
Synonyms: 1,2-Ethanediol,1-phenyl-, dipropanoate (9CI);1,2-Ethanediol, 1-phenyl-, dipropionate (8CI);NSC 71619;
Density: 1.092 g/cm3
Boiling Point: 336.2 °C at 760 mmHg
Flash Point: 161.2 °C
PSA: 52.60000
LogP: 2.63410
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Specification

This chemical is called 1,2-Ethanediol,1-phenyl-, 1,2-dipropanoate, and its systematic name is 1-phenylethane-1,2-diyl dipropanoate. With the molecular formula of C14H18O4, its molecular weight is 250.29. The CAS registry number of this chemical is 13756-18-8.

Other characteristics of the 1,2-Ethanediol,1-phenyl-, 1,2-dipropanoate can be summarised 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: 1.498; (8)Molar Refractivity: 67.15 cm3; (9)Molar Volume: 229 cm3; (10)Polarizability: 26.62×10-24cm3; (11)Surface Tension: 38.5 dyne/cm; (12)Density: 1.092 g/cm3; (13)Flash Point: 161.2 °C; (14)Enthalpy of Vaporization: 57.94 kJ/mol; (15)Boiling Point: 336.2 °C at 760 mmHg; (16)Vapour Pressure: 0.000114 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(OCC(OC(=O)CC)c1ccccc1)CC
2.InChI: InChI=1/C14H18O4/c1-3-13(15)17-10-12(18-14(16)4-2)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3
3.InChIKey: XVAFLALVAOXSMJ-UHFFFAOYAP