Basic information
- Name:
Undecanoic acid,11-cyano-
- CAS No.:
5810-18-4
- Molecular Structure:
- Formula:
- C12H21NO2
- Molecular Weight:
- 211.30
- Synonyms:
- 11-Cyanoundecanoicacid;NSC 59854;
- EINECS:
- 227-373-4
- Density:
- 0.984 g/cm3
- Boiling Point:
- 381.7 °C at 760 mmHg
- Flash Point:
- 184.7 °C
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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.
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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