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56006-48-5

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Basic Information
CAS No.: 56006-48-5
Name: [R,(-)]-2-Ethylhexanoic acid
Article Data: 3
Molecular Structure:
Molecular Structure of 56006-48-5 ([R,(-)]-2-Ethylhexanoic acid)
Formula: C8H16O2
Molecular Weight: 144.214
Synonyms: Hexanoic acid, 2-ethyl-, (-)-;
Density: 0.926 g/cm3
Boiling Point: 228 °C at 760 mmHg
Flash Point: 116.6 °C
PSA: 37.30000
LogP: 2.28740
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Specification

The (R)-2-Ethylhexanoic acid is an organic compound with the formula C8H16O2. The IUPAC name of this chemical is 2-ethylhexanoic acid. With the CAS registry number 56006-48-5, it is also named as hexanoic acid, 2-ethyl-.

Physical properties about (R)-2-Ethylhexanoic acid are: (1)ACD/LogP: 2.72; (2)ACD/LogD (pH 5.5): 1.96; (3)ACD/LogD (pH 7.4): 0.17; (4)ACD/BCF (pH 5.5): 11.85; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 123.98; (7)ACD/KOC (pH 7.4): 2.01; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.435; (13)Molar Refractivity: 40.63 cm3; (14)Molar Volume: 155.5 cm3; (15)Polarizability: 16.1×10-24cm3; (16)Surface Tension: 31.8 dyne/cm; (17)Density: 0.926 g/cm3; (18)Flash Point: 116.6 °C; (19)Enthalpy of Vaporization: 51.18 kJ/mol; (20)Boiling Point: 228 °C at 760 mmHg; (21)Vapour Pressure: 0.027 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(CC)CCCC
(2)InChI: InChI=1/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
(3)InChIKey: OBETXYAYXDNJHR-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
(5)Std. InChIKey: OBETXYAYXDNJHR-UHFFFAOYSA-N