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CAS No.: | 14250-75-0 |
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Name: | 2,2-DIMETHYLNONANOIC ACID |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C11H22O2 |
Molecular Weight: | 186.294 |
Synonyms: | 2,2-Dimethylnonanoicacid;2,2-Dimethylpelargonic acid; |
Density: | 0.909 g/cm3 |
Melting Point: | 130-132 °C |
Boiling Point: | 283.6 °C at 760 mmHg |
Flash Point: | 129.6 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
PSA: | 37.30000 |
LogP: | 3.45770 |
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This chemical is called Nonanoic acid, 2,2-dimethyl-, and its systematic name is 2,2-dimethylnonanoic acid. With the molecular formula of C11H22O2, its molecular weight is 186.29. The CAS registry number of this chemical is 14250-75-0.
Other characteristics of the Nonanoic acid, 2,2-dimethyl- can be summarised as followings: (1)ACD/LogP: 4.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.4; (4)ACD/LogD (pH 7.4): 1.61; (5)ACD/BCF (pH 5.5): 151.01; (6)ACD/BCF (pH 7.4): 2.47; (7)ACD/KOC (pH 5.5): 782.93; (8)ACD/KOC (pH 7.4): 12.81; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.445; (14)Molar Refractivity: 54.54 cm3; (15)Molar Volume: 204.7 cm3; (16)Polarizability: 21.62×10-24cm3; (17)Surface Tension: 31.8 dyne/cm; (18)Density: 0.909 g/cm3; (19)Flash Point: 129.6 °C; (20)Enthalpy of Vaporization: 57.5 kJ/mol; (21)Boiling Point: 283.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000815 mmHg at 25°C.
Production method of this chemical: The Nonanoic acid, 2,2-dimethyl- could be obtained by the reactants of dec-1-ene and carbon monoxide.This reaction needs the reagent of H2SO4. In addition, this reaction should be taken at the temperature of 15 °C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)C(CCCCCCC)(C)C
2.InChI: InChI=1/C11H22O2/c1-4-5-6-7-8-9-11(2,3)10(12)13/h4-9H2,1-3H3,(H,12,13)
3.InChIKey: GZWHUSJKYLPRHF-UHFFFAOYAZ