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Basic Information
CAS No.: 7425-15-2
Name: 2-ethylbutyl 2-ethylhexanoate
Molecular Structure:
Molecular Structure of 7425-15-2 (2-ethylbutyl 2-ethylhexanoate)
Formula: C14H28O2
Molecular Weight: 228.3709
Synonyms: 2-Ethylbutyl2-ethylhexanoate;
EINECS: 231-058-7
Density: 0.865 g/cm3
Boiling Point: 256.3 °C at 760 mmHg
Flash Point: 115.6 °C
PSA: 26.30000
LogP: 4.18220
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Specification

The CAS registry number of Hexanoic acid,2-ethyl-, 2-ethylbutyl ester is 7425-15-2. Its EINECS registry number is 231-058-7. This chemical's molecular formula is C14H28O2 and molecular weight is 228.3709. What's more, its systematic name is 2-Ethylbutyl 2-ethylhexanoate.

Physical properties about Hexanoic acid,2-ethyl-, 2-ethylbutyl ester are: (1)ACD/LogP: 5.65; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.65; (4)ACD/LogD (pH 7.4): 5.65; (5)ACD/BCF (pH 5.5): 11667.76; (6)ACD/BCF (pH 7.4): 11667.76; (7)ACD/KOC (pH 5.5): 28362.13; (8)ACD/KOC (pH 7.4): 28362.13; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.433; (14)Molar Refractivity: 68.6 cm3; (15)Molar Volume: 263.8 cm3; (16)Polarizability: 27.19×10-24 cm3; (17)Surface Tension: 28.3 dyne/cm; (18)Density: 0.865 g/cm3; (19)Flash Point: 115.6 °C; (20)Enthalpy of Vaporization: 49.38 kJ/mol; (21)Boiling Point: 256.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0155 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC(CC)CC)C(CCCC)CC
(2)InChI: InChI=1/C14H28O2/c1-5-9-10-13(8-4)14(15)16-11-12(6-2)7-3/h12-13H,5-11H2,1-4H3
(3)InChIKey: ZBFXGRJSIVCJDQ-UHFFFAOYAG