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Cas Database

Name	Ethyl 8-bromooctanoate	EINECS	608-417-5
CAS No.	29823-21-0	Density	1.194 g/cm³
PSA	26.30000	LogP	3.28500
Solubility	N/A	Melting Point	N/A
Formula	C₁₀H₁₉BrO₂	Boiling Point	267.1 °C at 760 mmHg
Molecular Weight	251.164	Flash Point	139.5 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	Xi
Synonyms	Caprylicacid, h-bromo-, ethyl ester (4CI);8-Bromocaprylic acid ethyl ester;8-caprylic acid ethyl ester;NSC 100182;Ethyl w-bromooctanoate;Ethyl omega-bromooctanoate;;	Article Data	1

Ethyl 8-bromooctanoate Specification

The Ethyl 8-bromooctanoate with cas registry number of 29823-21-0, is also named Caprylicacid, h-bromo-, ethyl ester (4CI) ; 8-Bromocaprylic acid ethyl ester .

Physical properties of Ethyl 8-bromooctanoate :(1)ACD/LogP: 3.76; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 9; (6)Polar Surface Area: 26.3 Å²; (7)Index of Refraction: 1.462; (8)Molar Refractivity: 57.88 cm³; (9)Molar Volume: 210.2 cm³; (10)Polarizability: 22.94×10^-24cm³; (11)Surface Tension: 33.7 dyne/cm; (12)Enthalpy of Vaporization: 50.51 kJ/mol; (13)Vapour Pressure: 0.00831 mmHg at 25°C .

You can still convert the following datas into molecular structure: (1)SMILES:BrCCCCCCCC(=O)OCC; (2)InChI:InChI=1/C10H19BrO2/c1-2-13-10(12)8-6-4-3-5-7-9-11/h2-9H2,1H3; (3)InChIKey:UBTQVPMVWAEGAC-UHFFFAOYAI; (4)Std. InChI:InChI=1S/C10H19BrO2/c1-2-13-10(12)8-6-4-3-5-7-9-11/h2-9H2,1H3; (5)Std. InChIKey:UBTQVPMVWAEGAC-UHFFFAOYSA-N.

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