Hexanoic acid, 2-chloro-, ethyl ester supplier

Name
ethyl 2-chlorohexanoate
EINECS 285-834-5
CAS No. 85153-52-2
Density 1.016 g/cm³
Solubility
Melting Point
Formula C₈H₁₅ClO₂
Boiling Point 201.6 °C at 760 mmHg
Molecular Weight 178.659
Flash Point 87 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Chlorohexanoic acid ethyl ester;
PSA 26.30000
LogP 2.34710

Hexanoic acid, 2-chloro-, ethyl ester Specification

The Hexanoic acid, 2-chloro-, ethyl ester, with the CAS registry number 85153-52-2, is also known as 2-Chlorohexanoic acid ethyl ester. Its EINECS registry number is 285-834-5. This chemical's molecular formula is C₈H₁₅ClO₂ and molecular weight is 178.6565. What's more, both its IUPAC name and systematic name are the same which is called Ethyl 2-chlorohexanoate.

Physical properties about Hexanoic acid, 2-chloro-, ethyl ester are: (1)ACD/LogP: 2.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.88; (4)ACD/LogD (pH 7.4): 2.88; (5)ACD/BCF (pH 5.5): 91.13; (6)ACD/BCF (pH 7.4): 91.13; (7)ACD/KOC (pH 5.5): 879.71; (8)ACD/KOC (pH 7.4): 879.71; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.432; (14)Molar Refractivity: 45.69 cm³; (15)Molar Volume: 175.8 cm³; (16)Polarizability: 18.11×10^-24cm³; (17)Surface Tension: 29.8 dyne/cm; (18)Density: 1.016 g/cm³; (19)Flash Point: 87 °C; (20)Enthalpy of Vaporization: 43.78 kJ/mol; (21)Boiling Point: 201.6 °C at 760 mmHg; (22)Vapour Pressure: 0.306 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(C(=O)OCC)CCCC
(2)InChI: InChI=1/C8H15ClO2/c1-3-5-6-7(9)8(10)11-4-2/h7H,3-6H2,1-2H3
(3)InChIKey: XNHUSSQEMIESJC-UHFFFAOYAB

Product Name

ethyl 2-chlorohexanoate

Hexanoic acid, 2-chloro-, ethyl ester Specification

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