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Basic Information
CAS No.: 1459-55-8
Name: P-(1-Adamantyl)toluene
Article Data: 25
Molecular Structure:
Molecular Structure of 1459-55-8 (P-(1-Adamantyl)toluene)
Formula: C17H22
Molecular Weight: 226.362
Synonyms: Adamantane,1-p-tolyl- (7CI,8CI);1-(4-Methylphenyl)adamantane;1-(4-Tolyl)adamantane;1-(4'-Methylphenyl)adamantane;1-(p-Tolyl)adamantane;4-(1-Adamantyl)toluene;NSC 176093;Tricyclo[3.3.1.13,7]decane,1-(4-methylphenyl)-;
Density: 1.054 g/cm3
Melting Point: 99 °C
Boiling Point: 329.5°Cat760mmHg
Flash Point: 148.5°C
PSA: 0.00000
LogP: 4.46280
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Chemistry

IUPAC Name: 1-(4-Methylphenyl)adamantane
Molecular Structure:

Molecular Formula: C17H22
Molecular Weight: 226.36
CAS NO: 1459-55-8
H bond acceptors: 0
H bond donors: 0
Freely Rotating Bonds: 1
Polar Surface Area: 0 Å2
Index of Refraction: 1.579
Molar Refractivity: 71.39 cm3
Molar Volume: 214.6 cm3
Surface Tension: 43.7 dyne/cm
Density: 1.054 g/cm3
Flash Point: 148.5 °C
Enthalpy of Vaporization: 54.93 kJ/mol
Boiling Point: 329.5 °C at 760 mmHg
Vapour Pressure: 0.000339 mmHg at 25°C 
Melting Point: 99 °C
Product Categories of P-(1-Adamantyl)toluene (CAS NO.1459-55-8): Adamantane derivatives;Adamantanes
SMILES: c1cc(ccc1C24CC3CC(CC(C2)C3)C4)C
InChI: InChI=1/C17H22/c1-12-2-4-16(5-3-12)17-9-13-6-14(10-17)8-15(7-13)11-17/h2-5,13-15H,6-11H2,1H3
InChIKey: RFQXTZGKFOTWFL-UHFFFAOYAQ
Std. InChI: InChI=1S/C17H22/c1-12-2-4-16(5-3-12)17-9-13-6-14(10-17)8-15(7-13)11-17/h2-5,13-15H,6-11H2,1H3 Std. InChIKey: RFQXTZGKFOTWFL-UHFFFAOYSA-N