-
Name
N,N-diethyloctanamide
- EINECS 213-639-7
- CAS No. 996-97-4
- Article Data12
- CAS DataBase
- Density 0.862 g/cm3
- Solubility
- Melting Point
- Formula C12H25NO
- Boiling Point 259.6 °C at 760 mmHg
- Molecular Weight 199.337
- Flash Point 97.1 °C
- Transport Information
- Appearance colorless transparent liquid
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Caprylicacid diethylamide;N,N-Diethylcaprylamide;N,N-Diethyloctamide;N,N-Diethyloctanamide;NSC 3916;Repellent 790;
- PSA 20.31000
- LogP 3.21530
N,N-Diethyloctanamide Specification
This chemical is called N,N-Diethyloctanamide, and it can also be named as Caprylic acid diethylamide. With the molecular formula of C12H25NO, its molecular weight is 199.33. The CAS registry number of this chemical is 996-97-4.
Other characteristics of the N,N-Diethyloctanamide can be summarised as followings: (1)ACD/LogP: 3.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.5; (4)ACD/LogD (pH 7.4): 3.5; (5)ACD/BCF (pH 5.5): 271.26; (6)ACD/BCF (pH 7.4): 271.26; (7)ACD/KOC (pH 5.5): 1920.53; (8)ACD/KOC (pH 7.4): 1920.53; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.444; (14)Molar Refractivity: 61.39 cm3; (15)Molar Volume: 230.9 cm3; (16)Polarizability: 24.33×10-24cm3; (17)Surface Tension: 29.9 dyne/cm; (18)Density: 0.862 g/cm3; (19)Flash Point: 97.1 °C; (20)Enthalpy of Vaporization: 49.72 kJ/mol; (21)Boiling Point: 259.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0128 mmHg at 25°C.
Uses of this chemical: The N,N-Diethyloctanamide could react with octan-1-ol, and obtain the octanal. This reaction needs the reagent of LiAlH(i-Bu)2(n-Bu), and the solvent of tetrahydrofuran, hexane. The yield is 90 %. In addition, this reaction should be taken for 1 hour at the ambient temperature.
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You can still convert the following datas into molecular structure:
1.SMILES: O=C(N(CC)CC)CCCCCCC
2.InChI: InChI=1/C12H25NO/c1-4-7-8-9-10-11-12(14)13(5-2)6-3/h4-11H2,1-3H3
3.InChIKey: FHJRFIYKPIXQNQ-UHFFFAOYAX
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