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| CAS No.: | 80854-14-4 |
|---|---|
| Name: | 2-(4-chlorophenyl)-2-methylpropanol |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C10H13ClO |
| Molecular Weight: | 184.666 |
| Synonyms: | 查看更多英文别名"> 2-(4-Chlorophenyl)-2-methylpropanol;2,2-Dimethyl-2-(4-chlorophenyl)ethanol;2-methyl-2-(4-chlorophenyl)propanol;2-(4-chlorophenyl)-2-methylpropyl alcohol;2-(4-chlorphenyl)-2-methylpropanol;2-(4-chlorophenyl)-2-methyl-propan-1-ol;查看更多英文别名 |
| Density: | 1.115 g/cm3 |
| Melting Point: | 50 °C |
| Boiling Point: | 262.2 °C at 760 mmHg |
| Flash Point: | 112.4 °C |
| PSA: | 20.23000 |
| LogP: | 2.60990 |
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Specification
The Benzeneethanol,4-chloro-b,b-dimethyl- is an organic compound with the formula C10H13ClO. The systematic name of this chemical is 2-(4-chlorophenyl)-2-methylpropan-1-ol. With the CAS registry number 80854-14-4, it is also named as 2-(4-chlorphenyl)-2-methylpropanol.
Physical properties about Benzeneethanol,4-chloro-b,b-dimethyl- are: (1)ACD/LogP: 2.65; (2)ACD/LogD (pH 5.5): 2.65; (3)ACD/LogD (pH 7.4): 2.65; (4)ACD/BCF (pH 5.5): 60.92; (5)ACD/BCF (pH 7.4): 60.92; (6)ACD/KOC (pH 5.5): 659.38; (7)ACD/KOC (pH 7.4): 659.38; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 20.23 Å2; (12)Index of Refraction: 1.529; (13)Molar Refractivity: 51.06 cm3; (14)Molar Volume: 165.5 cm3; (15)Polarizability: 20.24×10-24cm3; (16)Surface Tension: 36.8 dyne/cm; (17)Density: 1.115 g/cm3; (18)Flash Point: 112.4 °C; (19)Enthalpy of Vaporization: 52.82 kJ/mol; (20)Boiling Point: 262.2 °C at 760 mmHg; (21)Vapour Pressure: 0.00559 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1)C(C)(C)CO
(2)InChI: InChI=1/C10H13ClO/c1-10(2,7-12)8-3-5-9(11)6-4-8/h3-6,12H,7H2,1-2H3
(3)InChIKey: NJTICDHSNUXDFF-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C10H13ClO/c1-10(2,7-12)8-3-5-9(11)6-4-8/h3-6,12H,7H2,1-2H3
(5)Std. InChIKey: NJTICDHSNUXDFF-UHFFFAOYSA-N