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CAS No.: | 2456-27-1 |
---|---|
Name: | dinonyl ether |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C18H38O |
Molecular Weight: | 270.499 |
Synonyms: | Nonane,1,1'-oxybis- (9CI);Nonyl ether (6CI,7CI,8CI);Di-n-nonyl ether;Dinonyl ether; |
EINECS: | 219-532-1 |
Density: | 0.814g/cm3 |
Melting Point: | -11.8°C (estimate) |
Boiling Point: | 322.5 °C at 760 mmHg |
Flash Point: | 129.3 °C |
PSA: | 9.23000 |
LogP: | 6.50420 |
The Dinonyl ether , with CAS registry number 2456-27-1, has the systematic name of 1-(nonyloxy)nonane. Besides this, it is also called dinonyl ether. And the chemical formula of this chemical is C18H38O. What's more, its EINECS is 219-532-1.
Physical properties of Dinonyl ether are :(1)ACD/LogP: 8.42; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.42; (4)ACD/LogD (pH 7.4): 8.42; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 906926.25; (8)ACD/KOC (pH 7.4): 906926.25; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.438; (14)Molar Refractivity: 87.18 cm3; (15)Molar Volume: 332 cm3; (16)Polarizability: 34.56×10-24cm3; (17)Surface Tension: 28.6 dyne/cm; (18)Density: 0.814 g/cm3; (19)Flash Point: 129.3 °C; (20)Enthalpy of Vaporization: 54.19 kJ/mol; (21)Boiling Point: 322.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000525 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(CCCCCCCCC)CCCCCCCCC;
(2)InChI: InChI=1/C18H38O/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3;
(3)InChIKey: DKZRLCHWDNEKRH-UHFFFAOYAQ;