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629-66-3

Basic Information
CAS No.: 629-66-3
Name: 2-Nonadecanone
Article Data: 41
Molecular Structure:
Molecular Structure of 629-66-3 (2-Nonadecanone)
Formula: C19H38O.
Molecular Weight: 282.51
Synonyms: 2-Oxononadecane;Heptadecyl methyl ketone;Methyl heptadecyl ketone;
EINECS: 211-102-1
Density: 0.832 g/cm3
Melting Point: 54-56 °C
Boiling Point: 343.8 °C at 760 mmHg
Flash Point: 73.9 °C
Appearance: Fine white plates.
Safety: 22-24/25
PSA: 17.07000
LogP: 6.83690
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Specification

The 2-Nonadecanone with the cas number 629-66-3 is also called 2-Oxononadecane. Both the systematic name and IUPAC name are nonadecan-2-one. Its EINECS registry number is 211-102-1. The molecular formula is C19H38O. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 8.34; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.34; (4)ACD/LogD (pH 7.4): 8.34; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 824690.94; (8)ACD/KOC (pH 7.4): 824690.94; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.443; (14)Molar Refractivity: 90.1 cm3; (15)Molar Volume: 339.2 cm3; (16)Polarizability: 35.71×10-24cm3; (17)Surface Tension: 29.8 dyne/cm; (18)Enthalpy of Vaporization: 56.45 kJ/mol; (19)Vapour Pressure: 0.000137 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(CCCCCCCCCCCCCCCCC)C
(2)InChI: InChI=1/C19H38O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20/h3-18H2,1-2H3
(3)InChIKey: IEDKVDCIEARIIU-UHFFFAOYAV