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CAS No.: | 6057-60-9 |
---|---|
Name: | 4-(4-BIPHENYLYL)BUTYRIC ACID |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C16H16O2 |
Molecular Weight: | 240.302 |
Synonyms: | 4-Biphenylbutyricacid (8CI);Butyric acid, 4-(4-biphenylyl)- (6CI);Butyric acid, g-4-biphenylyl- (4CI);4-(4-Phenylphenyl)butyric acid;4-p-Biphenylylbutanoic acid;g-(4-Biphenylyl)butyric acid;g-(4-Diphenylyl)butyric acid;g-(p-Xenyl)butyric acid; |
Density: | 1.117g/cm3 |
Melting Point: | 119.5°C |
Boiling Point: | 414.365 °C at 760 mmHg |
Flash Point: | 311.122 °C |
PSA: | 37.30000 |
LogP: | 3.76090 |
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The [1,1'-Biphenyl]-4-butanoicacid, with CAS registry number 6057-60-9, has the systematic name of 4-biphenyl-4-ylbutanoic acid. Besides this, it is also called 4-(4-Biphenylyl)butyric acid. And the chemical formula of this chemical is C16H16O2.
Physical properties of [1,1'-Biphenyl]-4-butanoicacid: (1)ACD/LogP: 4.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 132; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 669; (8)ACD/KOC (pH 7.4): 11; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 37.3 Å2; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 71.224 cm3; (15)Molar Volume: 215.175 cm3; (16)Polarizability: 28.236×10-24cm3; (17)Surface Tension: 45.417 dyne/cm; (18)Density: 1.117 g/cm3; (19)Flash Point: 311.122 °C; (20)Enthalpy of Vaporization: 70.355 kJ/mol; (21)Boiling Point: 414.365 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCCc1ccc(cc1)c2ccccc2
(2)InChI: InChI=1/C16H16O2/c17-16(18)8-4-5-13-9-11-15(12-10-13)14-6-2-1-3-7-14/h1-3,6-7,9-12H,4-5,8H2,(H,17,18)
(3)InChIKey: XSFAQQLHYUBFKV-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C16H16O2/c17-16(18)8-4-5-13-9-11-15(12-10-13)14-6-2-1-3-7-14/h1-3,6-7,9-12H,4-5,8H2,(H,17,18)
(5)Std. InChIKey: XSFAQQLHYUBFKV-UHFFFAOYSA-N