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CAS No.: | 56680-76-3 |
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Name: | 2-Ethoxypropanoyl chloride |
Molecular Structure: | |
Formula: | C5H9ClO2 |
Molecular Weight: | 136.578 |
Density: | 1.081 g/cm3 |
Boiling Point: | 147.1 °C at 760 mmHg |
Flash Point: | 51.8 °C |
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The 2-Ethoxypropanoyl chloride has CAS registry number 56680-76-3. This chemical's molecular formula is C5H9ClO2 and molecular weight is 136.5768. What's more, its systematic name is called 2-Ethoxypropanoyl chloride.
Physical properties about 2-Ethoxypropanoyl chloride are: (1)ACD/LogP: 1.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.18; (4)ACD/LogD (pH 7.4): 1.18; (5)ACD/BCF (pH 5.5): 4.62; (6)ACD/BCF (pH 7.4): 4.62; (7)ACD/KOC (pH 5.5): 104.16; (8)ACD/KOC (pH 7.4): 104.16; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.417; (14)Molar Refractivity: 31.79 cm3; (15)Molar Volume: 126.3 cm3; (16)Surface Tension: 28.4 dyne/cm; (17)Density: 1.081 g/cm3; (18)Flash Point: 51.8 °C; (19)Enthalpy of Vaporization: 38.41 kJ/mol; (20)Boiling Point: 147.1 °C at 760 mmHg; (21)Vapour Pressure: 4.49 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: ClC(=O)C(C)OCC
(2) InChI: InChI=1/C5H9ClO2/c1-3-8-4(2)5(6)7/h4H,3H2,1-2H3
(3) InChIKey: HTCCQHKKWKMUMG-UHFFFAOYAY