-
Name
Benzene,1-[(trans,trans)-4'-ethyl[1,1'-bicyclohexyl]-4-yl]-4-fluoro- (Related Reference)
- EINECS
- CAS No. 114175-93-8
- Density 0.986 g/cm3
- Solubility
- Melting Point
- Formula C20H29F
- Boiling Point 373.9 °C at 760 mmHg
- Molecular Weight 288.449
- Flash Point 169 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Benzene,1-(4'-ethyl[1,1'-bicyclohexyl]-4-yl)-4-fluoro-, [trans(trans)]-;
- PSA 0.00000
- LogP 6.31590
Benzene,1-[(trans,trans)-4'-ethyl[1,1'-bicyclohexyl]-4-yl]-4-fluoro- Specification
This chemical is called Benzene,1-[(trans,trans)-4'-ethyl[1,1'-bicyclohexyl]-4-yl]-4-fluoro-, and its CAS registry number is 114175-93-8. With the molecular formula of C20H29F, its molecular weight is 288.44.
Other characteristics of the Benzene,1-[(trans,trans)-4'-ethyl[1,1'-bicyclohexyl]-4-yl]-4-fluoro- can be summarised as followings: (1)ACD/LogP: 8.37; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.36; (4)ACD/LogD (pH 7.4): 8.36; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 846104.38; (8)ACD/KOC (pH 7.4): 846104.38; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.507; (13)Molar Refractivity: 87.14 cm3; (14)Molar Volume: 292.5 cm3; (15)Polarizability: 34.54×10-24cm3; (16)Surface Tension: 34.9 dyne/cm; (17)Density: 0.986 g/cm3; (18)Flash Point: 169 °C; (19)Enthalpy of Vaporization: 59.69 kJ/mol; (20)Boiling Point: 373.9 °C at 760 mmHg; (21)Vapour Pressure: 1.86E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Fc1ccc(cc1)C2CCC(CC2)C3CCC(CC3)CC
2.InChI: InChI=1/C20H29F/c1-2-15-3-5-16(6-4-15)17-7-9-18(10-8-17)19-11-13-20(21)14-12-19/h11-18H,2-10H2,1H3
3.InChIKey: KSXLYSKMTFFAND-UHFFFAOYAE
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