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| Name |
Hexyl 2,2,2-trichloroacetate |
EINECS | N/A |
| CAS No. | 37587-86-3 | Density | 1.248 g/cm3 |
| PSA | 26.30000 | LogP | 3.48010 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C8H13Cl3O2 | Boiling Point | 236.9 °C at 760 mmHg |
| Molecular Weight | 247.54662 | Flash Point | 81.3 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Aceticacid,trichloro-,hexylester;Trichloroacetic acid, hexyl ester;trichloroaceticacidhexylester(c6);HEXYL TRICHLOROACETATE) |
Hexyl 2,2,2-trichloroacetate Specification
The Hexyl 2,2,2-trichloroacetate is an organic compound with the formula C8H13Cl3O2. The IUPAC name of this chemical is hexyl 2,2,2-trichloroacetate. With the CAS registry number 37587-86-3, it is also named as Trichloroacetic acid, hexyl ester.
Physical properties about Hexyl 2,2,2-trichloroacetate are: (1)ACD/LogP: 4.77; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 6; (4)Polar Surface Area: 26.3 Å2; (5)Index of Refraction: 1.47; (6)Molar Refractivity: 55.39 cm3; (7)Molar Volume: 198.2 cm3; (8)Polarizability: 21.96×10-24cm3; (9)Surface Tension: 35.9 dyne/cm; (10)Density: 1.248 g/cm3; (11)Flash Point: 81.3 °C; (12)Enthalpy of Vaporization: 47.37 kJ/mol; (13)Boiling Point: 236.9 °C at 760 mmHg; (14)Vapour Pressure: 0.0462 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClC(Cl)(Cl)C(=O)OCCCCCC
(2)InChI: InChI=1/C8H13Cl3O2/c1-2-3-4-5-6-13-7(12)8(9,10)11/h2-6H2,1H3
(3)InChIKey: UJGLOWVVUOBEJU-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C8H13Cl3O2/c1-2-3-4-5-6-13-7(12)8(9,10)11/h2-6H2,1H3
(5)Std. InChIKey: UJGLOWVVUOBEJU-UHFFFAOYSA-N
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