Products Categories
CAS No.: | 5577-48-0 |
---|---|
Name: | 2-HEXANONE OXIME |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C6H13NO |
Molecular Weight: | 115.175 |
Synonyms: | Butylmethyl ketone oxime;NSC 73136; |
EINECS: | 226-953-4 |
Density: | 0.89 g/cm3 |
Boiling Point: | 187.5 °C at 760 mmHg |
Flash Point: | 94 °C |
PSA: | 32.59000 |
LogP: | 2.02670 |
The 2-Hexanone, oxime, with CAS registry number 5577-48-0, has the systematic name of (2Z)-hexan-2-one oxime. Besides this, it is also called Methyl n-butyl ketoxime. And the chemical formula of this chemical is C6H13NO. What's more, its EINECS is 226-953-4.
Physical properties of 2-Hexanone, oxime: (1)ACD/LogP: 1.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.71; (4)ACD/LogD (pH 7.4): 1.71; (5)ACD/BCF (pH 5.5): 11.82; (6)ACD/BCF (pH 7.4): 11.82; (7)ACD/KOC (pH 5.5): 203.91; (8)ACD/KOC (pH 7.4): 203.91; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 21.59 Å2; (13)Index of Refraction: 1.435; (14)Molar Refractivity: 33.72 cm3; (15)Molar Volume: 129 cm3; (16)Polarizability: 13.37×10-24cm3; (17)Surface Tension: 27.8 dyne/cm; (18)Density: 0.89 g/cm3; (19)Flash Point: 94 °C; (20)Enthalpy of Vaporization: 46.71 kJ/mol; (21)Boiling Point: 187.5 °C at 760 mmHg; (22)Vapour Pressure: 0.282 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N(/O)=C(\C)CCCC
(2)InChI: InChI=1/C6H13NO/c1-3-4-5-6(2)7-8/h8H,3-5H2,1-2H3/b7-6-
(3)InChIKey: WHXCGIRATPOBAY-SREVYHEPBE
(4)Std. InChI: InChI=1S/C6H13NO/c1-3-4-5-6(2)7-8/h8H,3-5H2,1-2H3/b7-6-
(5)Std. InChIKey: WHXCGIRATPOBAY-SREVYHEPSA-N