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CAS No.: | 14062-26-1 |
---|---|
Name: | ethyl (4-phenoxyphenyl)acetate |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C16H16O3 |
Molecular Weight: | 256.2964 |
Synonyms: | Aceticacid, (p-phenoxyphenyl)-, ethyl ester (8CI);ethyl (4-phenoxyphenyl)acetate; |
Density: | 1.117 g/cm3 |
Boiling Point: | 353.8 °C at 760 mmHg |
Flash Point: | 147.3 °C |
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The Benzeneacetic acid, 4-phenoxy-, ethyl ester, with the CAS registry number 14062-26-1, has the systematic name of ethyl (4-phenoxyphenyl)acetate. And the molecular formula of this chemical is C16H16O3. It is a kind of organics, and should be stored in the dry and cool environment.
The physical properties of Benzeneacetic acid, 4-phenoxy-, ethyl ester are as following: (1)ACD/LogP: 4.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.49; (4)ACD/LogD (pH 7.4): 4.49; (5)ACD/BCF (pH 5.5): 1519.34; (6)ACD/BCF (pH 7.4): 1519.34; (7)ACD/KOC (pH 5.5): 6592.15; (8)ACD/KOC (pH 7.4): 6592.15; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 73.28 cm3; (15)Molar Volume: 229.3 cm3; (16)Polarizability: 29.05×10-24cm3; (17)Surface Tension: 40.7 dyne/cm; (18)Density: 1.117 g/cm3; (19)Flash Point: 147.3 °C; (20)Enthalpy of Vaporization: 59.87 kJ/mol; (21)Boiling Point: 353.8 °C at 760 mmHg; (22)Vapour Pressure: 3.51E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)Cc2ccc(Oc1ccccc1)cc2
(2)InChI: InChI=1/C16H16O3/c1-2-18-16(17)12-13-8-10-15(11-9-13)19-14-6-4-3-5-7-14/h3-11H,2,12H2,1H3
(3)InChIKey: CPYLMUNOJSVCRZ-UHFFFAOYAK