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CAS No.: | 25140-90-3 |
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Name: | 2-(2,6-Dichlorophenoxy)propanoic acid |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C9H8Cl2O3 |
Molecular Weight: | 235.067 |
Synonyms: | Propionicacid, 2-(2,6-dichlorophenoxy)- (6CI,8CI);2,6-Dichlorophenoxy-a-propionic acid;2-(2,6-dichlorophenoxy)propanoic acid; |
EINECS: | 246-650-0 |
Density: | 1.421g/cm3 |
Boiling Point: | 345.7 °C at 760 mmHg |
Flash Point: | 162.9 °C |
PSA: | 46.53000 |
LogP: | 2.84530 |
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The 2-(2,6-Dichlorophenoxy)propanoic acid, its cas register number is 25140-90-3. It also can be called as Propanoic acid,2-(2,6-dichlorophenoxy)- and the IUPAC name about this chemical is 2-(2,6-dichlorophenoxy)propanoic acid.
Physical properties about 2-(2,6-Dichlorophenoxy)propanoic acid are: (1)ACD/LogP: 2.79; (2)ACD/LogD (pH 5.5): 0.31; (3)ACD/LogD (pH 7.4): -0.87; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.62; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 35.53Å2; (12)Index of Refraction: 1.56; (13)Molar Refractivity: 53.51 cm3; (14)Molar Volume: 165.3 cm3; (15)Polarizability: 21.21x10-24cm3; (16)Surface Tension: 47.6 dyne/cm; (17)Enthalpy of Vaporization: 62.24 kJ/mol; (18)Vapour Pressure: 2.3E-05 mmHg at 25°C
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C(=O)O)OC1=C(C=CC=C1Cl)Cl
(2)InChI: InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-6(10)3-2-4-7(8)11/h2-5H,1H3,(H,12,13)
(3)InChIKey: JTSKVVDMNKQPAO-UHFFFAOYSA-N