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6892-17-7

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Basic Information
CAS No.: 6892-17-7
Name: 2,2-dimethylpropane-1,3-diyl bis(chloroformate)
Molecular Structure:
Molecular Structure of 6892-17-7 (2,2-dimethylpropane-1,3-diyl bis(chloroformate))
Formula: C7H10Cl2O4
Molecular Weight: 229.06
Synonyms: Carbonochloridicacid, 2,2-dimethyl-1,3-propanediyl ester (9CI);Formic acid, chloro-,2,2-dimethyltrimethylene ester (6CI,8CI);Formic acid, chloro-, diester with2,2-dimethyl-1,3-propanediol (7CI);1,3-Propanediol, 2,2-dimethyl-,bis(chloroformate) (7CI);2,2-Dimethyl-1,3-propanediol bis(chloroformate);2,2-Dimethylpropylene bis(chloroformate);2,2-Dimethyltrimethylenebis(chloroformate);
EINECS: 229-997-2
Density: 1.317 g/cm3
Boiling Point: 255.4 °C at 760 mmHg
Flash Point: 100.3 °C
PSA: 52.60000
LogP: 2.76340
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Specification

This chemical is called Carbonochloridicacid, C,C'-(2,2-dimethyl-1,3-propanediyl) ester, and its systematic name is 2,2-Dimethylpropane-1,3-diyl dicarbonochloridate. With the molecular formula of C7H10Cl2O4, its molecular weight is 229.06. The CAS registry number of the chemical is 6892-17-7. 

Other characteristics of Carbonochloridicacid, C,C'-(2,2-dimethyl-1,3-propanediyl) ester can be summarised as followings: (1)ACD/LogP: 2.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.82; (4)ACD/LogD (pH 7.4): 2.82; (5)ACD/BCF (pH 5.5): 82.33; (6)ACD/BCF (pH 7.4): 82.33; (7)ACD/KOC (pH 5.5): 818.01; (8)ACD/KOC (pH 7.4): 818.01; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.46; (14)Molar Refractivity: 47.69 cm3; (15)Molar Volume: 173.8 cm3; (16)Polarizability: 18.9×10-24cm3; (17)Surface Tension: 38.1 dyne/cm; (18)Density: 1.317 g/cm3; (19)Flash Point: 100.3 °C; (20)Enthalpy of Vaporization: 49.28 kJ/mol; (21)Boiling Point: 255.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0164 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(Cl)OCC(COC(Cl)=O)(C)C
2.InChI: InChI=1/C7H10Cl2O4/c1-7(2,3-12-5(8)10)4-13-6(9)11/h3-4H2,1-2H3
3.InChIKey: ROPHHOGKCLJYID-UHFFFAOYAA
4.Std. InChI: InChI=1S/C7H10Cl2O4/c1-7(2,3-12-5(8)10)4-13-6(9)11/h3-4H2,1-2H3
5.Std. InChIKey: ROPHHOGKCLJYID-UHFFFAOYSA-N