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| CAS No.: | 72162-23-3 |
|---|---|
| Name: | CORFREE(R) M1 |
| Molecular Structure: | |
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| Formula: | C24H47NO5 |
| Molecular Weight: | 648.82 |
| Synonyms: | cyclododecanol; cyclododecanone; nitric acid;Cyclododecanol, cyclododecanone, nitric acid reaction product, high-boiling fraction; |
| EINECS: | 276-431-5 |
| Density: | 1.02 g/mL at 25 °C(lit.) |
| Melting Point: | 85-95 °C(lit.) |
| Boiling Point: | 281.3 °C at 760 mmHg |
| Flash Point: | 117.4 °C |
| Hazard Symbols: | Xi |
| Safety: | 26-36 |
| PSA: | 157.80000 |
| LogP: | 6.18930 |
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Specification
The Cyclododecanol, cyclododecanone, nitric acid reaction product, high-boiling fraction, with the CAS registry number 72162-23-3, is also known as Nitric acid, reaction products with cyclododecanol and cyclododecanone, by-products from, high-boiling fraction. This chemical's molecular formula is C24H47NO5 and molecular weight is 429.6337. Its systematic name is called cyclododecanol; cyclododecanone; nitric acid. This chemical's classification code is TSCA UVCB.
Physical properties of Cyclododecanol, cyclododecanone, nitric acid reaction product, high-boiling fraction: (1)ACD/LogP: 4.73; (2)ACD/LogD (pH 5.5): 4.73; (3)ACD/LogD (pH 7.4): 4.73; (4)ACD/BCF (pH 5.5): 2301.91; (5)ACD/BCF (pH 7.4): 2301.91; (6)ACD/KOC (pH 5.5): 8875.22; (7)ACD/KOC (pH 7.4): 8875.22; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Flash Point: 117.4 °C; (12)Enthalpy of Vaporization: 60.36 kJ/mol; (13)Boiling Point: 281.3 °C at 760 mmHg; (14)Vapour Pressure: 0.000428 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)O.O=C1CCCCCCCCCCC1.OC1CCCCCCCCCCC1
(2)InChI: InChI=1/C12H24O.C12H22O.HNO3/c2*13-12-10-8-6-4-2-1-3-5-7-9-11-12;2-1(3)4/h12-13H,1-11H2;1-11H2;(H,2,3,4)
(3)InChIKey: IAHSWKJEVNWSOQ-UHFFFAOYAT