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Undecanoic acid, 11-cyano-

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Name

Undecanoic acid, 11-cyano-

EINECS 227-373-4
CAS No. 5810-18-4 Density 0.984 g/cm3
PSA 61.09000 LogP 3.49558
Solubility N/A Melting Point 57 °C
Formula C12H21NO2 Boiling Point 381.7 °C at 760 mmHg
Molecular Weight 211.304 Flash Point 184.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 5810-18-4 (11-CYANO-1-UNDECANOIC ACID) Hazard Symbols N/A
Synonyms

11-Cyanoundecanoicacid;NSC 59854;

Article Data 18

Undecanoic acid, 11-cyano- Specification

This chemical is called Undecanoic acid, 11-cyano-, and its systematic name is 11-Cyanoundecanoic acid. With the molecular formula of C12H21NO2, its molecular weight is 211.30. The CAS registry number of this chemical is 5810-18-4.

Other characteristics of the Undecanoic acid, 11-cyano- can be summarised as followings: (1)ACD/LogP: 2.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.97; (4)ACD/LogD (pH 7.4): 0.17; (5)ACD/BCF (pH 5.5): 11.83; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 121.13; (8)ACD/KOC (pH 7.4): 1.94; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 50.09 Å2; (13)Index of Refraction: 1.463; (14)Molar Refractivity: 59.12 cm3; (15)Molar Volume: 214.6 cm3; (16)Polarizability: 23.43×10-24cm3; (17)Surface Tension: 39.9 dyne/cm; (18)Density: 0.984 g/cm3; (19)Flash Point: 184.7 °C; (20)Enthalpy of Vaporization: 69.18 kJ/mol; (21)Boiling Point: 381.7 °C at 760 mmHg; (22)Vapour Pressure: 6.94E-07 mmHg at 25°C.

Uses of this chemical: The 11-cyano-undecanoyl chloride could be obtained by the reactant of 11-cyano-undecanoic acid. This reaction needs the reagent of SOCl2, and the solvent of benzene.

You can still convert the following datas into molecular structure: 
1.SMILES: N#CCCCCCCCCCCC(=O)O
2.InChI: InChI=1/C12H21NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-10H2,(H,14,15)
3.InChIKey: YKHZGLKQBYTRHO-UHFFFAOYAW

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