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2-Chloroethyl 2-methylpentanoate

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Name

2-Chloroethyl 2-methylpentanoate

EINECS N/A
CAS No. 6639-13-0 Density 1.016 g/cm3
PSA 26.30000 LogP 2.20460
Solubility N/A Melting Point N/A
Formula C8H15ClO2 Boiling Point 223.9 °C at 760 mmHg
Molecular Weight 178.6565 Flash Point 94.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 6639-13-0 (2-Chloroethyl 2-methylpentanoate) Hazard Symbols N/A
Synonyms

NSC 17874;

 

2-Chloroethyl 2-methylpentanoate Specification

The 2-Chloroethyl 2-methylpentanoate, with the CAS registry number 6639-13-0, is also known as NSC 17874. This chemical's molecular formula is C8H15ClO2 and molecular weight is 178.6565. What's more, its IUPAC name is 2-Chloroethyl 2-methylpentanoate.

Physical properties about 2-Chloroethyl 2-methylpentanoate are: (1)ACD/LogP: 2.72; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.432; (8)Molar Refractivity: 45.69 cm3; (9)Molar Volume: 175.8 cm3; (10)Polarizability: 18.11×10-24 cm3; (11)Surface Tension: 29.8 dyne/cm; (12)Density: 1.016 g/cm3; (13)Flash Point: 94.3 °C; (14)Enthalpy of Vaporization: 46.04 kJ/mol; (15)Boiling Point: 223.9 °C at 760 mmHg; (16)Vapour Pressure: 0.094 mmHg at 25 °C.

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

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