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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 | 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 |
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