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CAS No.: | 57497-13-9 |
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Name: | Benzene, 1-methyl-2-(1-propynyl)- (9CI) |
Article Data: | 19 |
Molecular Structure: | |
Formula: | C10H10 |
Molecular Weight: | 130.189 |
Synonyms: | Benzene,1-methyl-2-(1-propynyl)- (9CI);1-(2-Methylphenyl)-1-propyne;1-(2-Methylphenyl)propyne; |
Density: | 0.93 g/cm3 |
Boiling Point: | 206.9 °C at 760 mmHg |
Flash Point: | 75.1 °C |
PSA: | 0.00000 |
LogP: | 2.36640 |
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The Benzene, 1-methyl-2-(1-propyn-1-yl)-, with the CAS registry number 57497-13-9, is also known as 1-(2-Methylphenyl)propyne. This chemical's molecular formula is C10H10 and molecular weight is 130.1864. What's more, its IUPAC name is 1-Methyl-2-prop-1-ynylbenzene.
Physical properties about Benzene, 1-methyl-2-(1-propyn-1-yl)- are: (1)ACD/LogP: 3.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.58; (4)ACD/LogD (pH 7.4): 3.58; (5)ACD/BCF (pH 5.5): 309.64; (6)ACD/BCF (pH 7.4): 309.64; (7)ACD/KOC (pH 5.5): 2111.36; (8)ACD/KOC (pH 7.4): 2111.36; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 43.27 cm3; (15)Molar Volume: 138.5 cm3; (16)Polarizability: 17.15×10-24 cm3; (17)Surface Tension: 35.9 dyne/cm; (18)Density: 0.93 g/cm3; (19)Flash Point: 75.1 °C; (20)Enthalpy of Vaporization: 42.51 kJ/mol; (21)Boiling Point: 206.9 °C at 760 mmHg; (22)Vapour Pressure: 0.333 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: C(#Cc1ccccc1C)C
(2) InChI: InChI=1/C10H10/c1-3-6-10-8-5-4-7-9(10)2/h4-5,7-8H,1-2H3
(3) InChIKey: VXKBMXXRLARKSD-UHFFFAOYAG