CAS No.71294-42-3,4-Propylbiphenyl Suppliers

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Basic Information

Molecular Structure:
CAS No.:	71294-42-3
Name:	4-Propylbiphenyl

Formula:	C₁₅H₁₆
Molecular Weight:	196.29
Synonyms:	4-Propylbiphenyl;
Density:	0.962 g/cm3
Melting Point:	15-17 °C
Boiling Point:	109-111 °C (1.5 mmHg)
Safety:	24/25
PSA:	0.00000
LogP:	4.30610

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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