Molecule structure of sec-Pentylbenzene (CAS NO.29316-05-0) :
IUPAC Name: pentan-2-ylbenzene
Molecular Weight: 148.24474 g/mol
Molecular Formula: C11H16
Density: 0.859 g/cm3
Boiling Point: 192 °C at 760 mmHg
Flash Point: 60.6 °C
Index of Refraction: 1.487
Molar Refractivity: 49.7 cm3
Molar Volume: 172.5 cm3
Polarizability: 19.7×10-24 cm3
Surface Tension: 29.4 dyne/cm
Enthalpy of Vaporization: 41.07 kJ/mol
Vapour Pressure: 0.696 mmHg at 25 °C
XLogP3: 4.7
Rotatable Bond Count: 3
Exact Mass: 148.125201
MonoIsotopic Mass: 148.125201
Heavy Atom Count: 11
Complexity: 90.2
Canonical SMILES: CCCC(C)C1=CC=CC=C1
InChI: InChI=1S/C11H16/c1-3-7-10(2)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3
InChIKey: LTHAIAJHDPJXLG-UHFFFAOYSA-N
EINECS: 249-553-1
1. | orl-rat LDLo:10 mL/kg | AMIHAB AMA Archives of Industrial Health. 19 (1959),403. |
A poison by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.
sec-Pentylbenzene (CAS NO.29316-05-0) is also called sec-Amylbenzene ; Benzene, sec-pentyl- . sec-Pentylbenzene (CAS NO.29316-05-0) is low toxic. It is flammable. It will produce stimulation smoke when buring. So the storage environment should be ventilate, low-temperature and dry.
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