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CAS No.: | 2741-16-4 |
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Name: | 1-ISOPROPOXYBENZENE |
Article Data: | 87 |
Molecular Structure: | |
Formula: | C9H12O |
Molecular Weight: | 136.194 |
Synonyms: | Ether,isopropyl phenyl (6CI,7CI,8CI);2-Phenoxypropane;Isopropoxybenzene;Isopropyl phenyl ether;Phenyl isopropyl ether; |
EINECS: | 220-370-9 |
Density: | 0.927 g/cm3 |
Melting Point: | -33°C |
Boiling Point: | 178.9 °C at 760 mmHg |
Flash Point: | 61.9 °C |
PSA: | 9.23000 |
LogP: | 2.47380 |
The Benzene,(1-methylethoxy)-, with the CAS registry number 2741-16-4, is also known as Isopropoxybenzene. Its EINECS number is 220-370-9. This chemical's molecular formula is C9H12O and molecular weight is 136.19. What's more, its systematic name is (propan-2-yloxy)benzene.
Physical properties of Benzene,(1-methylethoxy)- are: (1)ACD/LogP: 3.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.01; (4)ACD/BCF (pH 5.5): 114.66; (5)ACD/KOC (pH 5.5): 1036.92; (6)#H bond acceptors: 1; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 9.23 Å2; (10)Index of Refraction: 1.486; (11)Molar Refractivity: 42.15 cm3; (12)Molar Volume: 146.8 cm3; (13)Surface Tension: 29 dyne/cm; (14)Density: 0.927 g/cm3; (15)Flash Point: 61.9 °C; (16)Enthalpy of Vaporization: 39.82 kJ/mol; (17)Boiling Point: 178.9 °C at 760 mmHg; (18)Vapour Pressure: 1.31 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccccc1)C(C)C
(2)InChI: InChI=1S/C9H12O/c1-8(2)10-9-6-4-3-5-7-9/h3-8H,1-2H3
(3)InChIKey: ZYNMJJNWXVKJJV-UHFFFAOYSA-N