Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Dodecane, 1-nitro- |
EINECS | 240-929-0 |
CAS No. | 16891-99-9 | Density | 0.899 g/cm3 |
PSA | 45.82000 | LogP | 4.70720 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H25NO2 | Boiling Point | 285 °C at 760 mmHg |
Molecular Weight | 215.336 | Flash Point | 107 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-Nitrododecane;NSC 76735; |
Article Data | 13 |
The Dodecane, 1-nitro- has the CAS registry number 16891-99-9. Its EINECS number is 240-929-0. This chemical's molecular formula is C12H25NO2 and molecular weight is 215.33. What's more, its systematic name is 1-nitrododecane.
Physical properties of Dodecane, 1-nitro- are: (1)ACD/LogP: 5.65; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.65; (4)ACD/LogD (pH 7.4): 5.63; (5)ACD/BCF (pH 5.5): 11570.77; (6)ACD/BCF (pH 7.4): 10969.96; (7)ACD/KOC (pH 5.5): 28187.56; (8)ACD/KOC (pH 7.4): 26723.93; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 45.82 Å2; (13)Index of Refraction: 1.444; (14)Molar Refractivity: 63.66 cm3; (15)Molar Volume: 239.3 cm3; (16)Polarizability: 25.23×10-24cm3; (17)Surface Tension: 31.7 dyne/cm; (18)Density: 0.899 g/cm3; (19)Flash Point: 107 °C; (20)Enthalpy of Vaporization: 50.3 kJ/mol; (21)Boiling Point: 285 °C at 760 mmHg; (22)Vapour Pressure: 0.00495 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)CCCCCCCCCCCC
(2)InChI: InChI=1S/C12H25NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3
(3)InChIKey: MQEMKUTWMALMCC-UHFFFAOYSA-N