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Isobutyl Decanoate

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Name

Isobutyl Decanoate

EINECS 250-281-0
CAS No. 30673-38-2 Density 0.866 g/cm3
PSA 26.30000 LogP 4.32630
Solubility N/A Melting Point N/A
Formula C14H28O2 Boiling Point 265.4 °C at 760 mmHg
Molecular Weight 228.375 Flash Point 115 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 30673-38-2 (Isobutyl Decanoate) Hazard Symbols N/A
Synonyms

Decanoicacid, isobutyl ester (8CI);Isobutyl caprate;Isobutyl decanoate;2-methylpropyl decanoate;decanoic acid, 2-methylpropyl ester;Decanoic acid, isobutyl ester;Isobutyl Decanoate;

Article Data 3

Isobutyl Decanoate Specification

The Isobutyl Decanoate, with the CAS registry number 30673-38-2 and EINECS registry number 250-281-0, has the systematic name of 2-methylpropyl decanoate. It is also called Isobutyl Decanoate. And the molecular formula of the chemical is C14H28O2.

The characteristics of Isobutyl Decanoate are as followings: (1)ACD/LogP: 5.84; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.84; (4)ACD/LogD (pH 7.4): 5.84; (5)ACD/BCF (pH 5.5): 16098.85; (6)ACD/BCF (pH 7.4): 16098.85; (7)ACD/KOC (pH 5.5): 35711.75; (8)ACD/KOC (pH 7.4): 35711.75; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.434; (14)Molar Refractivity: 68.64 cm3; (15)Molar Volume: 263.4 cm3; (16)Polarizability: 27.21×10-24cm3; (17)Surface Tension: 28.9 dyne/cm; (18)Density: 0.866 g/cm3; (19)Flash Point: 115 °C; (20)Enthalpy of Vaporization: 50.33 kJ/mol; (21)Boiling Point: 265.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00918 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCC(C)C)CCCCCCCCC
(2)InChI: InChI=1/C14H28O2/c1-4-5-6-7-8-9-10-11-14(15)16-12-13(2)3/h13H,4-12H2,1-3H3
(3)InChIKey: AXTPGRJJIGEOOY-UHFFFAOYAH

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