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CAS No.: | 57303-23-8 |
---|---|
Name: | N,N-dibutyloctanamide |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C16H33NO |
Molecular Weight: | 255.444 |
Synonyms: | N,N-Dibutyloctanamide;NSC 24749; |
EINECS: | 260-670-7 |
Density: | 0.86 g/cm3 |
Boiling Point: | 309.4 °C at 760 mmHg |
Flash Point: | 114.3 °C |
PSA: | 20.31000 |
LogP: | 4.77570 |
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The CAS register number of N,N-Dibutyloctanamide is 57303-23-8. It also can be called as Octanamide, N,N-dibutyl- and the IUPAC name about this chemical is N,N-dibutyloctanamide. The molecular formula about this chemical is C16H33NO and the molecular weight is 255.43932.
Physical properties about N,N-Dibutyloctanamide are: (1)ACD/LogP: 5.63; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.63; (4)ACD/LogD (pH 7.4): 5.63; (5)ACD/BCF (pH 5.5): 11186.31; (6)ACD/BCF (pH 7.4): 11186.33; (7)ACD/KOC (pH 5.5): 27519.41; (8)ACD/KOC (pH 7.4): 27519.44; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 12; (11)Polar Surface Area: 20.31Å2; (12)Index of Refraction: 1.45; (13)Molar Refractivity: 79.92 cm3; (14)Molar Volume: 297 cm3; (15)Polarizability: 31.68x10-24cm3; (16)Surface Tension: 30.7 dyne/cm; (17)Enthalpy of Vaporization: 55.02 kJ/mol; (18)Boiling Point: 309.4 °C at 760 mmHg; (19)Vapour Pressure: 0.00064 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N(CCCC)CCCC)CCCCCCC
(2)InChI: InChI=1/C16H33NO/c1-4-7-10-11-12-13-16(18)17(14-8-5-2)15-9-6-3/h4-15H2,1-3H3
(3)InChIKey: IRACWGPKDYUZEC-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C16H33NO/c1-4-7-10-11-12-13-16(18)17(14-8-5-2)15-9-6-3/h4-15H2,1-3H3
(5)Std. InChIKey: IRACWGPKDYUZEC-UHFFFAOYSA-N