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