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Tricyclo[3.3.1.13,7]decane-1,3-dicarbonyldichloride (29713-15-3)

Identification
Name:Tricyclo[3.3.1.13,7]decane-1,3-dicarbonyldichloride
Synonyms:1,3-Adamantanedicarbonylchloride (8CI);1,3-Adamantanedicarbonyl dichloride;
CAS:29713-15-3
Molecular Formula: C12H14Cl2O2
Molecular Weight: 261.14
InChI: InChI=1/C12H14Cl2O2/c13-9(15)11-2-7-1-8(4-11)5-12(3-7,6-11)10(14)16/h7-8H,1-6H2
Molecular Structure: (C12H14Cl2O2) 1,3-Adamantanedicarbonylchloride (8CI);1,3-Adamantanedicarbonyl dichloride;
Properties
Melting Point: 89-90 ºC
Density:1.441
Refractive index:1.586
Specification:

The cas register number of 1,3-Adamantanedicarbonyl dichloride is 29713-15-3. It also can be called as Tricyclo[3.3.1.13,7]decane-1,3-dicarbonyl dichloride and the Systematic name about this chemical is tricyclo[3.3.1.13,7]decane-1,3-dicarbonyl dichloride.

Physical properties about 1,3-Adamantanedicarbonyl dichloride are: (1)ACD/LogP: 2.76; (2)ACD/LogD (pH 5.5): 2.76; (3)ACD/LogD (pH 7.4): 2.76; (4)ACD/BCF (pH 5.5): 73.25; (5)ACD/BCF (pH 7.4): 73.25; (6)ACD/KOC (pH 5.5): 752.39; (7)ACD/KOC (pH 7.4): 752.39; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 34.14Å2; (11)Index of Refraction: 1.586; (12)Molar Refractivity: 60.86 cm3; (13)Molar Volume: 181.2 cm3; (14)Polarizability: 24.12x10-24cm3; (15)Surface Tension: 57.4 dyne/cm; (16)Enthalpy of Vaporization: 55.94 kJ/mol; (17)Boiling Point: 318 °C at 760 mmHg; (18)Vapour Pressure: 0.000372 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(=O)C13CC2CC(C(Cl)=O)(CC(C1)C2)C3
(2)InChI: InChI=1/C12H14Cl2O2/c13-9(15)11-2-7-1-8(4-11)5-12(3-7,6-11)10(14)16/h7-8H,1-6H2
(3)InChIKey: LKRUZYNPJUZODM-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C12H14Cl2O2/c13-9(15)11-2-7-1-8(4-11)5-12(3-7,6-11)10(14)16/h7-8H,1-6H2
(5)Std. InChIKey: LKRUZYNPJUZODM-UHFFFAOYSA-N

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