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CAS No.: | 10270-29-8 |
---|---|
Name: | 4-PENTYLBENZONITRILE |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C12H15N |
Molecular Weight: | 173.258 |
Synonyms: | Benzonitrile,p-pentyl- (8CI);4-Pentylbenzonitrile;NSC 100672; |
Density: | 0.95g/cm3 |
Boiling Point: | 278.9 °C at 760 mmHg |
Flash Point: | 122.7 °C |
Hazard Symbols: | R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; |
Risk Codes: | Xn:Harmful; "> Xn:Harmful; |
PSA: | 23.79000 |
LogP: | 3.29098 |
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The Benzonitrile, 4-pentyl-, with CAS registry number 10270-29-8, belongs to the following product category: Aromatic Nitriles. It has the systematic name of 4-pentylbenzonitrile. Besides this, it is also called 4-N-Pentylbenzonitrile. And the chemical formula of this chemical is C12H15N.
Physical properties of Benzonitrile, 4-pentyl-: (1)ACD/LogP: 4.24; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 23.79 Å2; (7)Index of Refraction: 1.51; (8)Molar Refractivity: 54.46 cm3; (9)Molar Volume: 182.1 cm3; (10)Polarizability: 21.59×10-24cm3; (11)Surface Tension: 37.8 dyne/cm; (12)Density: 0.95 g/cm3; (13)Flash Point: 122.7 °C; (14)Enthalpy of Vaporization: 51.76 kJ/mol; (15)Boiling Point: 278.9 °C at 760 mmHg; (16)Vapour Pressure: 0.00414 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccc(cc1)CCCCC
(2)InChI: InChI=1/C12H15N/c1-2-3-4-5-11-6-8-12(10-13)9-7-11/h6-9H,2-5H2,1H3
(3)InChIKey: LGPQFJXPPKNHJU-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C12H15N/c1-2-3-4-5-11-6-8-12(10-13)9-7-11/h6-9H,2-5H2,1H3
(5)Std. InChIKey: LGPQFJXPPKNHJU-UHFFFAOYSA-N