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Name	Pentyl 2-chlorobenzoate	EINECS	N/A
CAS No.	70086-68-9	Density	1.104 g/cm³
PSA	N/A	LogP	N/A
Solubility	N/A	Melting Point	N/A
Formula	C₁₂H₁₅ClO₂	Boiling Point	295.9 °C at 760 mmHg
Molecular Weight	226.703	Flash Point	138.8 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	NSC 8241;Pentyl o-chlorobenzoate;n-Pentyl 2-chlorobenzoate;	Article Data	2

Pentyl 2-chlorobenzoate Specification

The Benzoic acid,2-chloro-, pentyl ester, also known as 2-Chlorobenzoic acid, pentyl ester, is a organic compound with the formula C₁₂H₁₅ClO₂. With the CAS registry number 70086-68-9, its IUPAC name is called pentyl 2-chlorobenzoate.

Physical properties of Benzoic acid,2-chloro-, pentyl ester: (1)ACD/LogP: 4.61; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 6; (4)Index of Refraction: 1.51; (5)Molar Refractivity: 61.45 cm³; (6)Molar Volume: 205.3 cm³; (7)Surface Tension: 37.2 dyne/cm; (8)Density: 1.104 g/cm³; (9)Flash Point: 138.8 °C; (10)Enthalpy of Vaporization: 53.57 kJ/mol; (11)Boiling Point: 295.9 °C at 760 mmHg; (12)Vapour Pressure: 0.00148 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCOC(=O)C1=CC=CC=C1Cl
(2)InChI: InChI=1S/C12H15ClO2/c1-2-3-6-9-15-12(14)10-7-4-5-8-11(10)13/h4-5,7-8H,2-3,6,9H2,1H3
(3)InChIKey: SUCIUJIXAHNYGX-UHFFFAOYSA-N

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