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4-Propylbiphenyl

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Name

4-Propylbiphenyl

EINECS
CAS No. 71294-42-3 Density
Solubility Melting Point 15-17 °C
Formula C15H16 Boiling Point 109-111 °C (1.5 mmHg)
Molecular Weight 196.29 Flash Point
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 71294-42-3 (1,1'-Biphenyl,propyl- (9CI)) Hazard Symbols
Synonyms

4-Propylbiphenyl;

 

4-Propylbiphenyl Specification

The 4-Propylbiphenyl with its cas register number is 71294-42-3. It also can be called as 1,1'-Biphenyl,propyl- (9CI) and the Systematic name about this chemical is 4-propylbiphenyl. This chemical can be used as intermediates of Liquid Crystals.

Physical properties about 4-Propylbiphenyl are: (1)ACD/LogP: 5.50; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.5; (4)ACD/LogD (pH 7.4): 5.5; (5)ACD/BCF (pH 5.5): 8888.56; (6)ACD/BCF (pH 7.4): 8888.56; (7)ACD/KOC (pH 5.5): 23343.37; (8)ACD/KOC (pH 7.4): 23343.37; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 0 Å2; (11)Index of Refraction: 1.55; (12)Molar Refractivity: 65.02 cm3; (13)Molar Volume: 204 cm3; (14)Polarizability: 25.77x10-24cm3; (15)Surface Tension: 35.2 dyne/cm; (16)Enthalpy of Vaporization: 52.3 kJ/mol; (17)Vapour Pressure: 0.00158 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ccc1CCC)c2ccccc2
(2)InChI: InChI=1/C15H16/c1-2-6-13-9-11-15(12-10-13)14-7-4-3-5-8-14/h3-5,7-12H,2,6H2,1H3 
(3)InChIKey: NAYIXKXYHOLMRC-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C15H16/c1-2-6-13-9-11-15(12-10-13)14-7-4-3-5-8-14/h3-5,7-12H,2,6H2,1H3
(5)Std. InChIKey: NAYIXKXYHOLMRC-UHFFFAOYSA-N

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