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Name |
2-Nonynoic acid |
EINECS | N/A |
CAS No. | 1846-70-4 | Density | 0.994 g/cm3 |
PSA | 37.30000 | LogP | 2.04480 |
Solubility | N/A | Melting Point |
-5°C |
Formula | C9H14O2 | Boiling Point | 272.3 °C at 760 mmHg |
Molecular Weight | 154.209 | Flash Point | 132.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | C | |
Synonyms |
NSC 75864;non-2-ynoic acid; |
Article Data | 24 |
The 2-Nonynoic acid has the CAS registry number 1846-70-4. It belongs to the product categories of Acetylenes; Acetylenic Carboxylic Acids & Their Derivatives. This chemical's molecular formula is C9H14O2 and molecular weight is 154.21. What's more, its systematic name is non-2-ynoic acid. Besides, the product should be sealed and stored in containers which are placed in cool and dry places. It should be ensured that the workshop is well ventilated or equipped with exhaust device.
Physical properties of 2-Nonynoic acid are: (1)ACD/LogP: 3.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.86; (4)ACD/LogD (pH 7.4): -0.18; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.33; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.47; (14)Molar Refractivity: 43.31 cm3; (15)Molar Volume: 155 cm3; (16)Polarizability: 17.17×10-24 cm3; (17)Surface Tension: 40.1 dyne/cm; (18)Density: 0.994 g/cm3; (19)Flash Point: 132.8 °C; (20)Enthalpy of Vaporization: 56.2 kJ/mol; (21)Boiling Point: 272.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0017 mmHg at 25°C.
Preparation: this chemical can be prepared by oct-1-yne, carbon dioxide at the temperature of 70 °C. This reaction will need reagents Ni(cyclam)Br2, 1,4,8,11-tetraazacyclotetradecane, n-Bu4NBF4 and solvent dimethylformamide with the reaction time of 15 hours. This reaction will also need magnesium anode, carbon fibre cathode, 50 mA. The yield is about 96%.
Uses of 2-Nonynoic acid: it can be used to produce (Z)-3-iodo-2-nonenoic acid at the temperature of 25 °C. It will need reagents NaI, TMSCl, water and solvent acetonitrile with the reaction time of 3 hours. The yield is about 72%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(C#CCCCCCC)O
(2)InChI: InChI=1/C9H14O2/c1-2-3-4-5-6-7-8-9(10)11/h2-6H2,1H3,(H,10,11)
(3)InChIKey: ZAWLBSATNLQTON-UHFFFAOYAZ