Molecular Structure of 1-Butanol, 2-methyl-,1-propanoate (CAS NO.2438-20-2):
IUPAC Name: 2-methylbutyl propanoate
Empirical Formula: C8H16O2
Molecular Weight: 144.2114
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 5
Polar Surface Area: 26.3 Å2
Index of Refraction: 1.411
Molar Refractivity: 40.84 cm3
Molar Volume: 164.4 cm3
Surface Tension: 26.3 dyne/cm
Density: 0.876 g/cm3
Flash Point: 46.7 °C
Enthalpy of Vaporization: 39.3 kJ/mol
Boiling Point: 156.3 °C at 760 mmHg
Vapour Pressure: 2.91 mmHg at 25°C
CAS Registry Number: 2438-20-2
EINECS: 219-449-0
InChI
InChI=1/C8H16O2/c1-4-7(3)6-10-8(9)5-2/h7H,4-6H2,1-3H3
Smiles
O=C(OC[C@@H](CC)C)CC
Methyl-2-butyl-propionate ; methyl 2-methylhexanoate ; 1-butanol, 2-methyl-, propanoate ; 1-butanol, 2-methyl-, propionate ; 2-methylbutyl propionate ; 2-methyl-1-butanol propionate ; propionic acid (2-methylbutyl) ester .
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