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69343-70-0

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Basic Information
CAS No.: 69343-70-0
Name: 1-Heptyl-2-Pyrrolidone
Article Data: 3
Molecular Structure:
Molecular Structure of 69343-70-0 (1-Heptyl-2-Pyrrolidone)
Formula: C11H21NO
Molecular Weight: 183.294
Synonyms: N-Heptyl-2-pyrrolidinone;N-Heptylpyrrolidone;1-Heptylpyrrolidin-2-one;
Density: 0.933 g/cm3
Boiling Point: 294.64 °C at 760 mmHg
Flash Point: 122.661 °C
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Specification

The CAS register number of 2-Pyrrolidinone,1-heptyl- is 69343-70-0. It also can be called as N-Heptyl-2-pyrrolidinone and the systematic name about this chemical is 1-heptylpyrrolidin-2-one. The molecular formula about this chemical is C11H21NO and the molecular weight is 183.29054.

Physical properties about 2-Pyrrolidinone,1-heptyl- are: (1)ACD/LogP: 2.42; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 78; (5)ACD/BCF (pH 7.4): 78; (6)ACD/KOC (pH 5.5): 785; (7)ACD/KOC (pH 7.4): 785; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 20.31Å2; (11)Index of Refraction: 1.468; (12)Molar Refractivity: 54.635 cm3; (13)Molar Volume: 196.382 cm3; (14)Polarizability: 21.659x10-24cm3; (15)Surface Tension: 33.527 dyne/cm; (16)Enthalpy of Vaporization: 53.429 kJ/mol; (17)Boiling Point: 294.64 °C at 760 mmHg; (18)Vapour Pressure: 0.002 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CCCN1CCCCCCC
(2)InChI: InChI=1/C11H21NO/c1-2-3-4-5-6-9-12-10-7-8-11(12)13/h2-10H2,1H3
(3)InChIKey: OKYCNPJFMLCRMY-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C11H21NO/c1-2-3-4-5-6-9-12-10-7-8-11(12)13/h2-10H2,1H3
(5)Std. InChIKey: OKYCNPJFMLCRMY-UHFFFAOYSA-N