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Name |
Heptadecanoic acid,17-bromo- |
EINECS | 236-017-7 |
CAS No. | 13099-35-9 | Density | 1.102g/cm3 |
PSA | 37.30000 | LogP | 6.31740 |
Solubility | N/A | Melting Point |
72-74°C |
Formula | C17H33BrO2 | Boiling Point | 436.2 °C at 760 mmHg |
Molecular Weight | 349.352 | Flash Point | 217.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
17-Bromoheptadecanoicacid;w-Bromoheptadecanoic acid; |
Article Data | 7 |
The Heptadecanoic acid,17-bromo-, with CAS registry number 13099-35-9, has the systematic name of 17-bromoheptadecanoic acid. This chemical belongs to the following product category: Miscellaneous. And the chemical formula of this chemical is C17H33BrO2. What's more, its EINECS is 236-017-7.
Physical properties of Heptadecanoic acid,17-bromo-: (1)ACD/LogP: 7.55; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.75; (4)ACD/LogD (pH 7.4): 4.96; (5)ACD/BCF (pH 5.5): 51156.29; (6)ACD/BCF (pH 7.4): 820.67; (7)ACD/KOC (pH 5.5): 48522.02; (8)ACD/KOC (pH 7.4): 778.41; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.48; (14)Molar Refractivity: 90.1 cm3; (15)Molar Volume: 316.9 cm3; (16)Polarizability: 35.72×10-24cm3; (17)Surface Tension: 37.1 dyne/cm; (18)Density: 1.102 g/cm3; (19)Flash Point: 217.6 °C; (20)Enthalpy of Vaporization: 75.94 kJ/mol; (21)Boiling Point: 436.2 °C at 760 mmHg; (22)Vapour Pressure: 7.9E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: BrCCCCCCCCCCCCCCCCC(=O)O
(2)InChI: InChI=1/C17H33BrO2/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17(19)20/h1-16H2,(H,19,20)
(3)InChIKey: GABSTWMSOFZKEJ-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C17H33BrO2/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17(19)20/h1-16H2,(H,19,20)
(5)Std. InChIKey: GABSTWMSOFZKEJ-UHFFFAOYSA-N