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CAS No.: | 14812-03-4 |
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Name: | (E)-2-NONENOICACID |
Article Data: | 31 |
Molecular Structure: | |
Formula: | C9H16O2 |
Molecular Weight: | 156.225 |
Synonyms: | (E)-2-NONENOICACID |
EINECS: | 223-171-5 |
Density: | 0.944 g/cm3 |
Melting Point: | 0.3 °C |
Boiling Point: | 261.5 °C at 760 mmHg |
Flash Point: | 168.3 °C |
PSA: | 37.30000 |
LogP: | 2.59760 |
The (E)-Non-2-enoic acid, with the CAS registry number 14812-03-4, is also known as (2E)-Non-2-enoic acid. This chemical's molecular formula is C9H16O2 and molecular weight is 156.2221. What's more, its IUPAC name is called (E)-Non-2-enoic acid.
Physical properties about (E)-Non-2-enoic acid are: (1)ACD/LogP: 3.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.7; (4)ACD/LogD (pH 7.4): 0.91; (5)ACD/BCF (pH 5.5): 43.72; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 316.64; (8)ACD/KOC (pH 7.4): 5.13; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.46; (14)Molar Refractivity: 45.36 cm3; (15)Molar Volume: 165.3 cm3; (16)Surface Tension: 33.9 dyne/cm; (17)Density: 0.944 g/cm3; (18)Flash Point: 168.3 °C; (19)Enthalpy of Vaporization: 54.96 kJ/mol; (20)Boiling Point: 261.5 °C at 760 mmHg; (21)Vapour Pressure: 0.00341 mmHg at 25 °C.
Preparation of (E)-Non-2-enoic acid: this chemical can be prepared by Heptanal with Malonic acid. This reaction needs reagent Pyridine.
Uses of (E)-Non-2-enoic acid: it is used to produce other chemicals. For example, it is used to produce 2,3-Dibromo-nonanoic acid. The reaction occurs with reagent Br2 and solvent CH2Cl2 at temperature of 25 °C. The yield is 96 %.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)/C=C/CCCCCC
(2) InChI: InChI=1/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h7-8H,2-6H2,1H3,(H,10,11)/b8-7+
(3) InChIKey: ADLXTJMPCFOTOO-BQYQJAHWBD