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41869-16-3

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Basic Information
CAS No.: 41869-16-3
Name: 4-CHLORO-PENTANOIC ACID ETHYL ESTER
Article Data: 10
Molecular Structure:
Molecular Structure of 41869-16-3 (4-CHLORO-PENTANOIC ACID ETHYL ESTER)
Formula: C7H13ClO2
Molecular Weight: 164.632
Synonyms: 4-Chloro-pentanoic acid ethyl ester;
Density: 1.033 g/cm3
Boiling Point: 195.999 °C at 760 mmHg
Flash Point: 73.958 °C
PSA: 26.30000
LogP: 1.95700
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Specification

The Pentanoic acid,4-chloro-, ethyl ester, (R)- (9CI), with the CAS registry number 41869-16-3, is also known as 4-Chloro-pentanoic acid ethyl ester. This chemical's molecular formula is C7H13ClO2 and molecular weight is 164.6299. Its systematic name is called ethyl 4-chloropentanoate.

Physical properties of Pentanoic acid,4-chloro-, ethyl ester, (R)- (9CI): (1)ACD/LogP: 2.16; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 21; (5)ACD/BCF (pH 7.4): 21; (6)ACD/KOC (pH 5.5): 308; (7)ACD/KOC (pH 7.4): 308; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 5; (10)Index of Refraction: 1.429; (11)Molar Refractivity: 41.062 cm3; (12)Molar Volume: 159.326 cm3; (13)Surface Tension: 29.465 dyne/cm; (14)Density: 1.033 g/cm3; (15)Flash Point: 73.958 °C; (16)Enthalpy of Vaporization: 43.22 kJ/mol; (17)Boiling Point: 195.999 °C at 760 mmHg; (18)Vapour Pressure: 0.408 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(C)CCC(=O)OCC
(2)InChI: InChI=1/C7H13ClO2/c1-3-10-7(9)5-4-6(2)8/h6H,3-5H2,1-2H3
(3)InChIKey: OJAYUEGXOWQYTB-UHFFFAOYAV