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Name |
Benzenebutanoic acid, a-phenyl-, ethyl ester |
EINECS | N/A |
CAS No. | 53608-81-4 | Density | 1.059 g/cm3 |
PSA | 26.30000 | LogP | 3.96610 |
Solubility | N/A | Melting Point |
N/A |
Formula | C18H20O2 | Boiling Point | 376.3 °C at 760 mmHg |
Molecular Weight | 268.3502 | Flash Point | 136.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Butyricacid, 2,4-diphenyl-, ethyl ester (7CI);NSC 82226;Ethyl-2,4-diphenylbutanoate; |
Article Data | 3 |
The CAS register number of Benzenebutanoic acid, a-phenyl-, ethyl ester is 53608-81-4. The systematic name about this chemical is ethyl 2,4-diphenylbutanoate. The molecular formula about this chemical is C18H20O2 and the molecular weight is 268.3502.
Physical properties about Benzenebutanoic acid, a-phenyl-, ethyl ester are: (1)ACD/LogP: 4.86; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 7; (4)Polar Surface Area: 26.3 Å2; (5)Index of Refraction: 1.549; (6)Molar Refractivity: 80.59 cm3; (7)Molar Volume: 253.2 cm3; (8)Polarizability: 31.95x10-24cm3; (9)Surface Tension: 40.4 dyne/cm; (10)Density: 1.059 g/cm3; (11)Flash Point: 136.2 °C; (12)Enthalpy of Vaporization: 62.39 kJ/mol; (13)Boiling Point: 376.3 °C at 760 mmHg; (14)Vapour Pressure: 7.33E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C(c1ccccc1)CCc2ccccc2
(2)InChI: InChI=1/C18H20O2/c1-2-20-18(19)17(16-11-7-4-8-12-16)14-13-15-9-5-3-6-10-15/h3-12,17H,2,13-14H2,1H3
(3)InChIKey: SJMGLWKVOOIJRS-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C18H20O2/c1-2-20-18(19)17(16-11-7-4-8-12-16)14-13-15-9-5-3-6-10-15/h3-12,17H,2,13-14H2,1H3
(5)Std. InChIKey: SJMGLWKVOOIJRS-UHFFFAOYSA-N