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Cas Database |
| Name |
Propaneperoxoicacid, 1,1-dimethylethyl ester |
EINECS | N/A |
| CAS No. | 14206-05-4 | Density | 0.949 g/cm3 |
| PSA | 35.53000 | LogP | 1.66970 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C7H14O3 | Boiling Point | 147.6 °C at 760 mmHg |
| Molecular Weight | 146.186 | Flash Point | 47.4 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Peroxypropionicacid, tert-butyl ester (7CI,8CI);NSC 223071;tert-Butyl peroxypropanoate;tert-Butyl peroxypropionate;tert-Butyl propaneperoxoate; |
Article Data | 1 |
Propaneperoxoicacid, 1,1-dimethylethyl ester Specification
The Propaneperoxoicacid, 1,1-dimethylethyl ester, with the CAS registry number 14206-05-4, is also known as NSC223071. This chemical's molecular formula is C7H14O3 and molecular weight is 146.18426. Its IUPAC name is called tert-butyl propaneperoxoate.
Physical properties of Propaneperoxoicacid, 1,1-dimethylethyl ester: (1)ACD/LogP: 2.11; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 4; (4)Index of Refraction: 1.407; (5)Molar Refractivity: 37.96 cm3; (6)Molar Volume: 153.9 cm3; (7)Surface Tension: 26.7 dyne/cm; (8)Density: 0.949 g/cm3; (9)Flash Point: 47.4 °C; (10)Enthalpy of Vaporization: 38.46 kJ/mol; (11)Boiling Point: 147.6 °C at 760 mmHg; (12)Vapour Pressure: 4.38 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC(=O)OOC(C)(C)C
(2)InChI: InChI=1S/C7H14O3/c1-5-6(8)9-10-7(2,3)4/h5H2,1-4H3
(3)InChIKey: BBXFLQCFPROIMX-UHFFFAOYSA-N
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