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| CAS No.: | 111158-11-3 |
|---|---|
| Name: | Benzene,1-iodo-4-(trans-4-propylcyclohexyl)- |
| Article Data: | 2 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C15H21I |
| Molecular Weight: | 328.236 |
| Synonyms: | Benzene,1-iodo-4-(4-propylcyclohexyl)-, trans-;4-(trans-4-Propylcyclohexyl)-1-iodobenzene;4-Iodo-1-(trans-4-propylcyclohexyl)benzene;1-(trans-4-Propylcyclohexyl)-4-iodobenzene; |
| EINECS: | N/A |
| Density: | 1.33 g/cm3 |
| Melting Point: | N/A |
| Boiling Point: | 348.501 °C at 760 mmHg |
| Flash Point: | 157.979 °C |
| Solubility: | N/A |
| Appearance: | N/A |
| Hazard Symbols: | N/A |
| Risk Codes: | N/A |
| Safety: | |
| Transport Information: | N/A |
| PSA: | 0.00000 |
| LogP: | 5.36510 |
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The Benzene,1-iodo-4-(trans-4-propylcyclohexyl)-, with the CAS registry number 111158-11-3, is also known as 4-Iodo-1-(trans-4-propylcyclohexyl)benzene. This chemical's molecular formula is C15H21I and molecular weight is 328.23. What's more, its systematic name is 1-iodo-4-(4-propylcyclohexyl)benzene.
Physical properties of Benzene,1-iodo-4-(trans-4-propylcyclohexyl)- are: (1)ACD/LogP: 7.48; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.478; (4)ACD/BCF (pH 5.5): 283768.594; (5)ACD/KOC (pH 5.5): 278487.75; (6)#Freely Rotating Bonds: 3; (7)Index of Refraction: 1.553; (8)Molar Refractivity: 78.981 cm3; (9)Molar Volume: 246.789 cm3; (10)Surface Tension: 38.1 dyne/cm; (11)Density: 1.33 g/cm3; (12)Flash Point: 157.979 °C; (13)Enthalpy of Vaporization: 56.947 kJ/mol; (14)Boiling Point: 348.501 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: CCC[C@H]1CC[C@@H](CC1)c2ccc(cc2)I
(2)InChI: InChI=1S/C15H21I/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(16)11-9-14/h8-13H,2-7H2,1H3/t12-,13-
(3)InChIKey: QBYHVVBZXPJPKK-JOCQHMNTSA-N
