CAS No.29823-21-0,8-BROMOOCTANOIC ACID ETHYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	29823-21-0
Name:	8-BROMOOCTANOIC ACID ETHYL ESTER
Article Data:	1

Formula:	C₁₀H₁₉BrO₂
Molecular Weight:	251.164
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;;
EINECS:	608-417-5
Density:	1.194 g/cm³
Boiling Point:	267.1 °C at 760 mmHg
Flash Point:	139.5 °C
Hazard Symbols:	Xi
PSA:	26.30000
LogP:	3.28500

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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.