The Molecular Structure of Diethyl 2-(2-cyanoethyl)malonate (CAS NO.17216-62-5) is

Cas Register Number: 17216-62-5
IUPAC Name:  Diethyl 2-(2-cyanoethyl)propanedioate
Synonyms:  Diethyl (2-cyanoethyl)malonate ; Diethyl 2-(2-cyanoethyl)-malonate ; Propanedioic acid, 2-(2-cyanoethyl)-, diethyl ester ; (2-Cyanoethyl)malonic acid diethyl ester ; 1,3-Diethyl 2-(2-cyanoethyl)propanedioate ; 2-Cyanoethylmalonic acid diethyl ester ; 4,4-Bis(ethoxycarbonyl)butyronitrile ; Diethyl-(2-cyanethyl)malonat
Molecular Formula: C₁₀H₁₅NO₄
Molecular Weight: 213.230400 g/mol 
Product Categories: C10 to C11;Carbonyl Compounds;Esters
ACD/LogP: 0.91
ACD/LogD (pH 5.5): 0.91
ACD/LogD (pH 7.4): 0.91
ACD/BCF (pH 5.5): 2.91
ACD/BCF (pH 7.4): 2.91
ACD/KOC (pH 5.5): 74.73
ACD/KOC (pH 7.4): 74.73
H bond acceptors: 5
H bond donors: 0
Freely Rotating Bonds: 8
Polar Surface Area: 76.39 Å²
Index of Refraction: 1.445
Molar Refractivity: 51.79 cm³
Molar Volume: 194.3 cm³
Polarizability: 20.53 x10^-24 cm³
Surface Tension: 38.8 dyne/cm
Density: 1.097 g/cm³ 
Flash Point: 140.9 °C
Enthalpy of Vaporization: 52.73 kJ/mol
Boiling Point: 288.1 °C at 760 mmHg
Vapour Pressure of Diethyl 2-(2-cyanoethyl)malonate (CAS NO.17216-62-5): 0.00238 mmHg at 25°C

Hazard Codes: Xn,Xi
Risk Statements: 20/21/22-36/37/38 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 36-26 
S36:Wear suitable protective clothing. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RIDADR: 3276
WGK Germany: 3
HazardClass: 6.1
PackingGroup: III