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| CAS No.: | 84089-73-6 |
|---|---|
| Name: | 1-Iodoethyl isopropyl carbonate |
| Article Data: | 14 |
| Molecular Structure: | |
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| Formula: | C6H11IO3 |
| Molecular Weight: | 258.056 |
| Synonyms: | 1-(Isopropoxycarbonyloxy)ethyliodide;1-Iodoethyl 1-methylethyl carbonate;1-Iodoethyl isopropyl carbonate; |
| Density: | 1.643 g/cm3 |
| Boiling Point: | 204.8 °C at 760 mmHg |
| Flash Point: | 77.7 °C |
| PSA: | 35.53000 |
| LogP: | 2.32900 |
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Specification
The 1-Iodoethyl isopropyl carbonate, with the cas registry number 84089-73-6, has the systematic name of 1-iodoethyl 1-methylethyl carbonate. It is also called carbonic acid, 1-iodoethyl 1-methylethyl ester, and the molecular formula of the chemical is C6H11IO3.
The characteristics of this chemical are as followings: (1)ACD/LogP: 2.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.42; (4)ACD/LogD (pH 7.4): 2.42; (5)ACD/BCF (pH 5.5): 40.62; (6)ACD/BCF (pH 7.4): 40.62; (7)ACD/KOC (pH 5.5): 493.39; (8)ACD/KOC (pH 7.4): 493.39; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.5; (14)Molar Refractivity: 46.25 cm3; (15)Molar Volume: 156.9 cm3; (16)Polarizability: 18.33×10-24cm3; (17)Surface Tension: 35.7 dyne/cm; (18)Density: 1.643 g/cm3; (19)Flash Point: 77.7 °C; (20)Enthalpy of Vaporization: 44.11 kJ/mol; (21)Boiling Point: 204.8 °C at 760 mmHg; (22)Vapour Pressure: 0.258 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC(I)OC(=O)OC(C)C
(2)InChI: InChI=1/C6H11IO3/c1-4(2)9-6(8)10-5(3)7/h4-5H,1-3H3
(3)InChIKey: XZVBIIRIWFZJOE-UHFFFAOYAT