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CAS No.: | 6639-13-0 |
---|---|
Name: | 2-Chloroethyl 2-methylpentanoate |
Molecular Structure: | |
Formula: | C8H15ClO2 |
Molecular Weight: | 178.6565 |
Synonyms: | NSC 17874; |
Density: | 1.016 g/cm3 |
Boiling Point: | 223.9 °C at 760 mmHg |
Flash Point: | 94.3 °C |
PSA: | 26.30000 |
LogP: | 2.20460 |
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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