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49742-56-5

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Basic Information
CAS No.: 49742-56-5
Name: Methyl 4'-methylbiphenyl-4-carboxylate
Article Data: 76
Molecular Structure:
Molecular Structure of 49742-56-5 (Methyl 4'-methylbiphenyl-4-carboxylate)
Formula: C15H14 O2
Molecular Weight: 226.275
Synonyms: Methyl4-(4-methylphenyl)benzoate; Methyl 4-(p-tolyl)benzoate; Methyl4'-methyl-1,1'-biphenyl-4-carboxylate; Methyl 4'-methylbiphenyl-4-carboxylate
EINECS: 256-454-7
Density: 1.083
Melting Point: 115-116 °C
Boiling Point: 350.1±21.0 °C(Predicted)
Flash Point: 158.2oC
PSA: 26.30000
LogP: 3.44860
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Chemistry


IUPAC Name: Methyl 4-(4-methylphenyl)benzoate
Canonical SMILES: CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC
InChI: InChI=1S/C15H14O2/c1-11-3-5-12(6-4-11)13-7-9-14(10-8-13)15(16)17-2/h3-10H,1-2H3
InChIKey: NSUWJKRQGXBISO-UHFFFAOYSA-N
Molecular Weight: 226.27046 [g/mol]
Molecular Formula: C15H14O2
XLogP3: 4.3
H-Bond Donor: 0
H-Bond Acceptor: 2
Rotatable Bond Count: 3
Exact Mass: 226.09938
MonoIsotopic Mass: 226.09938
Topological Polar Surface Area: 26.3
Heavy Atom Count: 17
Complexity: 246
EINECS: 256-454-7 
Index of Refraction: 1.558
Molar Refractivity: 67.44 cm3
Molar Volume: 208.8 cm3
Surface Tension: 39.3 dyne/cm
Density: 1.083 g/cm3
Flash Point: 158.2 °C
Enthalpy of Vaporization: 59.46 kJ/mol
Boiling Point: 350.1 °C at 760 mmHg
Vapour Pressure of Methyl 4'-methyl[1,1'-biphenyl]-4-carboxylate (CAS NO.49742-56-5): 4.51E-05 mmHg at 25 °C

Specification

  Methyl 4'-methyl[1,1'-biphenyl]-4-carboxylate (CAS NO.49742-56-5), its Synonyms are (1,1'-Biphenyl)-4-carboxylic acid, 4'-methyl-, methyl ester ; 4'-Methyl-4-biphenylcarboxylic acid methyl ester ; 4'-Methylbiphenyl-4-carboxylic acid methyl ester .