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Cycloheptanecarboxamide

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Name

Cycloheptanecarboxamide

EINECS N/A
CAS No. 1459-39-8 Density 0.99 g/cm3
PSA 44.08000 LogP 2.59180
Solubility N/A Melting Point 193-194 °C(Solv: ethanol (64-17-5))
Formula C8H15NO Boiling Point 295.2 °C at 760 mmHg
Molecular Weight 141.213 Flash Point 132.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1459-39-8 (Cycloheptanecarboxamide) Hazard Symbols N/A
Synonyms

cycloheptanecarboxamide

Article Data 10

Cycloheptanecarboxamide Specification

The CAS registry number of Cycloheptanecarboxamide is 1459-39-8. This chemical's molecular formula is C8H15NO and molecular weight is 141.2108. What's more, both its IUPAC name and systematic name are the same which is called Cycloheptanecarboxamide.

Physical properties about Cycloheptanecarboxamide are: (1)ACD/LogP: 1.39; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.39; (4)ACD/LogD (pH 7.4): 1.39; (5)ACD/BCF (pH 5.5): 6.7; (6)ACD/BCF (pH 7.4): 6.7; (7)ACD/KOC (pH 5.5): 135.81; (8)ACD/KOC (pH 7.4): 135.81; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31Å2; (13)Index of Refraction: 1.478; (14)Molar Refractivity: 40.38 cm3; (15)Molar Volume: 142.6 cm3; (16)Surface Tension: 37.8 dyne/cm; (17)Density: 0.99 g/cm3; (18)Flash Point: 132.3 °C; (19)Enthalpy of Vaporization: 53.49 kJ/mol; (20)Boiling Point: 295.2 °C at 760 mmHg; (21)Vapour Pressure: 0.00155 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N)C1CCCCCC1
(2) InChI: InChI=1/C8H15NO/c9-8(10)7-5-3-1-2-4-6-7/h7H,1-6H2,(H2,9,10)
(3) InChIKey: QJVFPOMUIKCQED-UHFFFAOYAI 

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