Basic Information | Post buying leads | Suppliers |
Name |
Octanoic acid,2-ethylhexyl ester |
EINECS | 264-098-9 |
CAS No. | 63321-70-0 | Density | 0.864 g/cm3 |
PSA | 26.30000 | LogP | 5.10650 |
Solubility | N/A | Melting Point |
N/A |
Formula | C16H32O2 | Boiling Point | 296.8 °C at 760 mmHg |
Molecular Weight | 256.429 | Flash Point | 134.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Ethyl-1-hexyloctanoate;2-Ethylhexyl caprylate;2-Ethylhexyl octanoate;Edenor LPL;NSC403894;Pastell 2H08; |
The CAS register number of Octanoic acid,2-ethylhexyl ester is 63321-70-0. It also can be called as 2-Ethyl-1-hexyloctanoate and the systematic name about this chemical is 2-ethylhexyl octanoate. The molecular formula about this chemical is C16H32O2 and the molecular weight is 256.42408.
Physical properties about Octanoic acid,2-ethylhexyl ester are: (1)ACD/LogP: 6.90; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.9; (4)ACD/LogD (pH 7.4): 6.9; (5)ACD/BCF (pH 5.5): 103382.43; (6)ACD/BCF (pH 7.4): 103382.43; (7)ACD/KOC (pH 5.5): 135182.33; (8)ACD/KOC (pH 7.4): 135182.33; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 13; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.438; (13)Molar Refractivity: 77.9 cm3; (14)Molar Volume: 296.5 cm3; (15)Polarizability: 30.88x10-24cm3; (16)Surface Tension: 29.4 dyne/cm; (17)Density: 0.864 g/cm3; (18)Flash Point: 134.7 °C; (19)Enthalpy of Vaporization: 53.66 kJ/mol; (20)Boiling Point: 296.8 °C at 760 mmHg; (21)Vapour Pressure: 0.0014 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC(CCCC)CC)CCCCCCC
(2)InChI: InChI=1/C16H32O2/c1-4-7-9-10-11-13-16(17)18-14-15(6-3)12-8-5-2/h15H,4-14H2,1-3H3
(3)InChIKey: HPUAIVNIHNEYPO-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C16H32O2/c1-4-7-9-10-11-13-16(17)18-14-15(6-3)12-8-5-2/h15H,4-14H2,1-3H3
(5)Std. InChIKey: HPUAIVNIHNEYPO-UHFFFAOYSA-N