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CAS No.: | 4789-35-9 |
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Name: | 1,4-di-tert-butylcyclohexane |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C14H28 |
Molecular Weight: | 196.376 |
Synonyms: | Cyclohexane,1,4-di-tert-butyl-, trans- (8CI);trans-1,4-Di-tert-butylcyclohexane;1,4-Di-tert-butylcyclohexane;cis-1,4-Bis(1,1-dimethylethyl)-cyclohexa;trans-1,4-Bis(1,1-dimethylethyl)-cyclo;AC1L3CM7;CID138351;1,4-Ditert-butylcyclohexane; |
Density: | 0.821 g/cm3 |
Boiling Point: | 235.5 °C at 760 mmHg |
Flash Point: | 91.4 °C |
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The Cyclohexane,1,4-bis(1,1-dimethylethyl)-, trans- with CAS registry number of 4789-35-9 is also known as trans-1,4-Di-tert-butylcyclohexane. The IUPAC name is 1,4-Ditert-butylcyclohexane. In addition, the formula is C14H28 and the molecular weight is 196.37.
Physical properties about Cyclohexane,1,4-bis(1,1-dimethylethyl)-, trans- are: (1)ACD/LogP: 6.83; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.83; (4)ACD/LogD (pH 7.4): 6.83; (5)ACD/BCF (pH 5.5): 90784.98; (6)ACD/BCF (pH 7.4): 90784.98; (7)ACD/KOC (pH 5.5): 123175.87; (8)ACD/KOC (pH 7.4): 123175.87; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.448; (11)Molar Refractivity: 64.06 cm3; (12)Molar Volume: 238.9 cm3; (13)Surface Tension: 28 dyne/cm; (14)Density: 0.821 g/cm3; (15)Flash Point: 91.4 °C; (16)Enthalpy of Vaporization: 45.31 kJ/mol; (17)Boiling Point: 235.5 °C at 760 mmHg; (18)Vapour Pressure: 0.0762 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: CC(C)(C)C1CCC(CC1)C(C)(C)C
2. InChI: InChI=1S/C14H28/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6/h11-12H,7-10H2,1-6H3
3. InChIKey: IBTCQHAOKZFUES-UHFFFAOYSA-N