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10270-29-8

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Basic Information
CAS No.: 10270-29-8
Name: 4-PENTYLBENZONITRILE
Article Data: 9
Molecular Structure:
Molecular Structure of 10270-29-8 (4-PENTYLBENZONITRILE)
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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Specification

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