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| CAS No.: | 51637-93-5 |
|---|---|
| Name: | Octadecyl chloroformate |
| Molecular Structure: | |
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| Formula: | C19H37ClO2 |
| Molecular Weight: | 332.955 |
| Synonyms: | Formicacid, chloro-, octadecyl ester (6CI,7CI);Octadecyl chloroformate;Stearylchloroformate;Stearyloxycarbonyl chloride;n-Octadecyl chloroformate;octadecyl carbonochloridate;carbonochloridic acid, octadecyl ester;Octadecyl carbonochloridate;Stearyl chloroformate; |
| EINECS: | 257-330-5 |
| Density: | 0.932 g/cm3 |
| Boiling Point: | 396.9 °C at 760 mmHg |
| Flash Point: | 136.4 °C |
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Specification
The Stearyl chloroformate, with the CAS registry number 51637-93-5 and EINECS registry number 257-330-5, has the systematic name of octadecyl carbonochloridate. It is also called carbonochloridic acid, octadecyl ester. And the molecular formula of the chemical is C19H37ClO2.
The characteristics of Stearyl chloroformate are as followings: (1)ACD/LogP: 9.94; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.94; (4)ACD/LogD (pH 7.4): 9.94; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 6100931; (8)ACD/KOC (pH 7.4): 6100931; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 18; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.454; (14)Molar Refractivity: 96.69 cm3; (15)Molar Volume: 357 cm3; (16)Polarizability: 38.33×10-24cm3; (17)Surface Tension: 32.3 dyne/cm; (18)Density: 0.932 g/cm3; (19)Flash Point: 136.4 °C; (20)Enthalpy of Vaporization: 64.73 kJ/mol; (21)Boiling Point: 396.9 °C at 760 mmHg; (22)Vapour Pressure: 1.65E-06 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ClC(=O)OCCCCCCCCCCCCCCCCCC
(2)InChI: InChI=1/C19H37ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19(20)21/h2-18H2,1H3
(3)InChIKey: JQDURWGNZCVESS-UHFFFAOYAZ