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Basic Information
CAS No.: 76-71-1
Name: Diethyl ethyl(1-methylpropyl)malonate
Molecular Structure:
Molecular Structure of 76-71-1 (Diethyl ethyl(1-methylpropyl)malonate)
Formula: C13H24 O4
Molecular Weight: 244.331
Synonyms: Malonicacid, sec-butylethyl-, diethyl ester (6CI,7CI,8CI); Propanedioic acid,ethyl(1-methylpropyl)-, diethyl ester (9CI); Diethyl2-ethyl-2-sec-butylmalonate; NSC 10822
EINECS: 200-980-1
Density: 0.975 g/cm3
Boiling Point: 253 °C at 760 mmHg
Flash Point: 107.5 °C
PSA: 52.60000
LogP: 2.55510
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    CAS 76-71-1 Empirical formula C13H24O4 Molar mass 244.33 g/mol

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Chemistry

Molecular Structure of Diethyl ethyl(1-methylpropyl)malonate (CAS No.76-71-1):

Molecular Formula: C13H24O4
Molecular Weight: 244.32726
CAS No: 76-71-1
H bond acceptors: 4
H bond donors: 0
Freely Rotating Bonds: 9
Polar Surface Area: 52.6 Å2
Index of Refraction: 1.437
Molar Refractivity: 65.75 cm3
Molar Volume: 250.5 cm3
Surface Tension: 31 dyne/cm
Density: 0.975 g/cm3
Flash Point: 107.5 °C
Enthalpy of Vaporization: 49.03 kJ/mol
Boiling Point: 253 °C at 760 mmHg
Vapour Pressure: 0.0188 mmHg at 25°C
IUPAC Name: Diethyl 2-butan-2-yl-2-ethylpropanedioate
InChI: InChI=1S/C13H24O4/c1-6-10(5)13(7-2,11(14)16-8-3)12(15)17-9-4/h10H,6-9H2,1-5H3
InChIKey: WZFGIKMWBJCRBU-UHFFFAOYSA-N
Product Categories: Pharmaceutical Intermediates

Specification

   Diethyl ethyl(1-methylpropyl)malonate (CAS No.76-71-1), it also can be called Ethyl(1-methylpropyl)propanedioic acid diethyl ester ; Diethyl sec-butyl(ethyl)malonate ; Malonic acid, sec-butylethyl-, diethyl ester ; Propanedioic acid, 2-ethyl-2-(1-methylpropyl)-, diethyl ester ; Propanedioic acid, ethyl(1-methylpropyl)-, diethyl ester .