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| CAS No.: | 136459-72-8 |
|---|---|
| Name: | Trimethyl[4-(phenylethynyl)phenyl]silane |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C17H18Si |
| Molecular Weight: | 250.415 |
| Synonyms: | Trimethyl[4-(phenylethynyl)phenyl]silane;1-(2-Phenylethynyl)-4-(trimethylsilyl)benzene; |
| Density: | 0.99 g/cm3 |
| Melting Point: | 39 °C |
| Boiling Point: | 344.2 °C at 760 mmHg |
| Flash Point: | 148.1 °C |
| PSA: | 0.00000 |
| LogP: | 3.63160 |
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- Total:24 Page 1 of 1 1
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Specification
The Trimethyl[4-(phenylethynyl)phenyl]silane, with the CAS registry number 136459-72-8, is also known as 1-(2-Phenylethynyl)-4-(trimethylsilyl)benzene. It belongs to the product categories of Acetylenes; Acetylenic Hydrocarbons having Benzene Ring. This chemical's molecular formula is C17H18Si and molecular weight is 250.41. What's more, its systematic name is trimethyl[4-(phenylethynyl)phenyl]silane.
Physical properties of Trimethyl[4-(phenylethynyl)phenyl]silane are: (1)ACD/LogP: 7.28; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.28; (4)ACD/LogD (pH 7.4): 7.28; (5)ACD/BCF (pH 5.5): 201419.92; (6)ACD/BCF (pH 7.4): 201419.92; (7)ACD/KOC (pH 5.5): 217897.66; (8)ACD/KOC (pH 7.4): 217897.66; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: Å2; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 81.37 cm3; (15)Molar Volume: 250.7 cm3; (16)Polarizability: 32.25×10-24cm3; (17)Surface Tension: 35.7 dyne/cm; (18)Density: 0.99 g/cm3; (19)Flash Point: 148.1 °C; (20)Enthalpy of Vaporization: 56.49 kJ/mol; (21)Boiling Point: 344.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000133 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: C[Si](C)(C)c2ccc(C#Cc1ccccc1)cc2;
(2)Std. InChI: InChI=1S/C17H18Si/c1-18(2,3)17-13-11-16(12-14-17)10-9-15-7-5-4-6-8-15/h4-8,11-14H,1-3H3;
(3)Std. InChIKey: UZRJWRFLYPENFH-UHFFFAOYSA-N;