Pentadecanoicacid, 2-bromo- supplier

Name
2-BROMOPENTADECANOIC ACID
EINECS
CAS No. 82144-78-3
Density 1.13 g/cm³
Solubility
Melting Point
Formula C₁₅H₂₉BrO₂
Boiling Point 389.2 °C at 760 mmHg
Molecular Weight 321.298
Flash Point 189.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-BROMOPENTADECANOIC ACID
PSA 37.30000
LogP 5.53560

Pentadecanoicacid, 2-bromo- Specification

The Pentadecanoicacid, 2-bromo- is an organic compound with the formula C₁₅H₂₉BrO₂. With the CAS registry number 82144-78-3, the systematic name of this chemical is 2-bromopentadecanoic acid.

Physical properties about Pentadecanoicacid, 2-bromo- are: (1)ACD/LogP: 7.23; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.72; (4)ACD/LogD (pH 7.4): 3.56; (5)ACD/BCF (pH 5.5): 574.84; (6)ACD/BCF (pH 7.4): 39.6; (7)ACD/KOC (pH 5.5): 637.89; (8)ACD/KOC (pH 7.4): 43.94; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 37.3 Å²; (13)Index of Refraction: 1.48; (14)Molar Refractivity: 80.79 cm³; (15)Molar Volume: 284.3 cm³; (16)Polarizability: 32.03×10^-24cm³; (17)Surface Tension: 36.7 dyne/cm; (18)Density: 1.13 g/cm³; (19)Flash Point: 189.2 °C; (20)Enthalpy of Vaporization: 70.09 kJ/mol; (21)Boiling Point: 389.2 °C at 760 mmHg; (22)Vapour Pressure: 3.86E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)C(Br)CCCCCCCCCCCCC
(2)InChI: InChI=1/C15H29BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(16)15(17)18/h14H,2-13H2,1H3,(H,17,18)
(3)InChIKey: MUXQOFXMCVOPPW-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C15H29BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(16)15(17)18/h14H,2-13H2,1H3,(H,17,18)
(5)Std. InChIKey: MUXQOFXMCVOPPW-UHFFFAOYSA-N

Product Name

2-BROMOPENTADECANOIC ACID

Pentadecanoicacid, 2-bromo- Specification

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