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| CAS No.: | 6314-97-2 |
|---|---|
| Name: | (2,2-diethoxyethyl)benzene |
| Article Data: | 29 |
| Molecular Structure: | |
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| Formula: | C12H18O2 |
| Molecular Weight: | 194.274 |
| Synonyms: | Acetaldehyde,phenyl-, diethyl acetal (6CI,8CI);(2,2-Diethoxyethyl)benzene;1,1-Diethoxy-2-phenylethane;Benzeneacetaldehyde, diethyl acetal;NSC 20031;Phenylacetaldehyde diethyl acetal;Phenylethanal diethyl acetal; |
| EINECS: | 228-642-9 |
| Density: | 0.964 g/cm3 |
| Boiling Point: | 237.4 °C at 760 mmHg |
| Flash Point: | 75 °C |
| PSA: | 18.46000 |
| LogP: | 2.62820 |
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- Total:18 Page 1 of 1 1
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Specification
This chemical is called Benzene, (2,2-diethoxyethyl)-, and its systematic name is (2,2-diethoxyethyl)benzene. With the molecular formula of C12H18O2, its molecular weight is 194.27. The CAS registry number of this chemical is 6314-97-2.
Other characteristics of the Benzene, (2,2-diethoxyethyl)- can be summarised as followings: (1)ACD/LogP: 3.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.14; (4)ACD/LogD (pH 7.4): 3.14; (5)ACD/BCF (pH 5.5): 142.45; (6)ACD/BCF (pH 7.4): 142.45; (7)ACD/KOC (pH 5.5): 1211.14; (8)ACD/KOC (pH 7.4): 1211.14; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.485; (14)Molar Refractivity: 57.78 cm3; (15)Molar Volume: 201.3 cm3; (16)Polarizability: 22.9×10-24cm3; (17)Surface Tension: 32.2 dyne/cm; (18)Density: 0.964 g/cm3; (19)Flash Point: 75 °C; (20)Enthalpy of Vaporization: 45.5 kJ/mol; (21)Boiling Point: 237.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0691 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O(C(OCC)Cc1ccccc1)CC
2.InChI: InChI=1/C12H18O2/c1-3-13-12(14-4-2)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3
3.InChIKey: FYERTDTXGGOMGT-UHFFFAOYAI