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18719-42-1

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Basic Information
CAS No.: 18719-42-1
Name: diethyl (2-chloroethyl)propanedioate
Article Data: 5
Molecular Structure:
Molecular Structure of 18719-42-1 (diethyl (2-chloroethyl)propanedioate)
Formula: C9H15ClO4
Molecular Weight: 222.669
Synonyms: Diethyl 2-(2-chloroethyl)propanedioate
Density: 1.137g/cm3
Boiling Point: 263.9°Cat760mmHg
Flash Point: 98.7°C
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Chemistry

IUPAC Name: Diethyl 2-(2-chloroethyl)propanedioate 
Synonyms of Diethyl 2-(2-chloroethyl)propanedioate (CAS NO.18719-42-1): Diethyl (2-chloroethyl)propanedioate
CAS NO: 18719-42-1
Molecular Formula: C9H15ClO4
Molecular Weight: 222.666
Molecular Structure: 
H bond acceptors: 4
H bond donors: 0
Freely Rotating Bonds: 8
Polar Surface Area: 52.6 Å2
Index of Refraction: 1.444
Molar Refractivity: 52.1 cm3
Molar Volume: 195.8 cm3
Surface Tension: 34.7 dyne/cm
Density: 1.137 g/cm3
Flash Point: 98.7 °C
Enthalpy of Vaporization: 50.18 kJ/mol
Boiling Point: 263.9 °C at 760 mmHg
Vapour Pressure: 0.01 mmHg at 25°C 
SMILES: ClCCC(C(=O)OCC)C(=O)OCC
InChI: InChI=1/C9H15ClO4/c1-3-13-8(11)7(5-6-10)9(12)14-4-2/h7H,3-6H2,1-2H3
InChIKey: ZBNRVCJGKAZEQW-UHFFFAOYAK
Std. InChI: InChI=1S/C9H15ClO4/c1-3-13-8(11)7(5-6-10)9(12)14-4-2/h7H,3-6H2,1-2H3
Std. InChIKey: ZBNRVCJGKAZEQW-UHFFFAOYSA-N