Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Dodecaneperoxoic acid,1,1-dimethylethyl ester |
EINECS | N/A |
CAS No. | 2123-88-8 | Density | 0.9 g/cm3 |
PSA | 35.53000 | LogP | 5.18060 |
Solubility | N/A | Melting Point |
N/A |
Formula | C16H32O3 | Boiling Point | 324.1 °C at 760 mmHg |
Molecular Weight | 272.428 | Flash Point | 88.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Peroxylauricacid, tert-butyl ester (6CI,7CI,8CI);NSC 612831;Perbutyl L;tert-Butylperlaurate;tert-Butyl peroxylaurate; |
Article Data | 4 |
The CAS registry number of Dodecaneperoxoic acid,1,1-dimethylethyl ester is 2123-88-8. This chemical is also named as t-Butyl peroxylaurate. In addition, its molecular formula is C16H32O3 and molecular weight is 272.42348. Its systematic name and IUPAC name are the same which is called tert-butyl dodecaneperoxoate.
Physical properties about Dodecaneperoxoic acid,1,1-dimethylethyl ester are: (1)ACD/LogP: 6.90; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.89; (4)ACD/LogD (pH 7.4): 6.89; (5)ACD/BCF (pH 5.5): 102305.09; (6)ACD/BCF (pH 7.4): 102305.09; (7)ACD/KOC (pH 5.5): 134172.39; (8)ACD/KOC (pH 7.4): 134172.39; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 13; (12)Index of Refraction: 1.439; (13)Molar Refractivity: 79.66 cm3; (14)Molar Volume: 302.5 cm3; (15)Surface Tension: 30 dyne/cm; (16)Density: 0.9 g/cm3; (17)Flash Point: 88.8 °C; (18)Enthalpy of Vaporization: 56.61 kJ/mol; (19)Boiling Point: 324.1 °C at 760 mmHg; (20)Vapour Pressure: 0.00025 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OOC(C)(C)C)CCCCCCCCCCC
(2)InChI: InChI=1/C16H32O3/c1-5-6-7-8-9-10-11-12-13-14-15(17)18-19-16(2,3)4/h5-14H2,1-4H3
(3)InChIKey: JZFHXRUVMKEOFG-UHFFFAOYAV