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CAS No.: | 30640-46-1 |
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Name: | METHYL CYCLOHEXADIENE |
Molecular Structure: | |
Formula: | C7H10 |
Molecular Weight: | 94.15 |
Synonyms: | Methylcyclohexadiene; |
EINECS: | 250-269-5 |
Density: | 0.848 g/cm3 |
Boiling Point: | 115.8 °C at 760 mmHg |
Flash Point: | 4 °C |
PSA: | 0.00000 |
LogP: | 2.13860 |
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The Cyclohexadiene, methyl-, with the CAS registry number 30640-46-1, is also known as Methylcyclohexadiene. Its EINECS registry number is 250-269-5. This chemical's molecular formula is C7H10 and molecular weight is 94.15. Its IUPAC name is called 1-methylcyclohexa-1,3-diene.
Physical properties of Cyclohexadiene, methyl-: (1)ACD/LogP: 3.06; (2)ACD/LogD (pH 5.5): 3.06; (3)ACD/LogD (pH 7.4): 3.06; (4)ACD/BCF (pH 5.5): 124.9; (5)ACD/BCF (pH 7.4): 124.9; (6)ACD/KOC (pH 5.5): 1102.4; (7)ACD/KOC (pH 7.4): 1102.4; (8)Index of Refraction: 1.48; (9)Molar Refractivity: 31.58 cm3; (10)Molar Volume: 111 cm3; (11)Surface Tension: 26.6 dyne/cm; (12)Density: 0.848 g/cm3; (13)Flash Point: 4 °C; (14)Enthalpy of Vaporization: 33.95 kJ/mol; (15)Boiling Point: 115.8 °C at 760 mmHg; (16)Vapour Pressure: 22.3 mmHg at 25°C.
Preparation of Cyclohexadiene, methyl-: this chemical can be prepared by 1,2-dibromo-4-methyl-cyclohexane. This reaction will need reagent quinoline.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC=CCC1
(2)InChI: InChI=1S/C7H10/c1-7-5-3-2-4-6-7/h2-3,5H,4,6H2,1H3
(3)InChIKey: QMFJIJFIHIDENY-UHFFFAOYSA-N