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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
You are here: Experimental > One molecule all properties |
Other names |
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Diboron tetrachloride; Dichloroborane; perchlorodiborane; |
INChI | INChIKey | SMILES | IUPAC name |
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InChI=1S/B2Cl4/c3-1(4)2(5)6 | LCWVIHDXYOFGEG-UHFFFAOYSA-N | ClB(Cl)B(Cl)Cl | perchlorodiborane |
State | Conformation |
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1A1 | D2 |
Property | Value | Uncertainty | units | Reference | Comment |
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Hfg(298.15K) ![]() |
-490.00 | 10.00 | kJ mol-1 | Gurvich | Internal rotor V=630 cm-1 I=1.33E-38 g cm2 sigma=2 n=2 See Gurvich |
Hfg(0K) ![]() |
-490.78 | 10.00 | kJ mol-1 | Gurvich | Internal rotor V=630 cm-1 I=1.33E-38 g cm2 sigma=2 n=2 See Gurvich |
Entropy (298.15K) ![]() |
371.27 | J K-1 mol-1 | Gurvich | Internal rotor V=630 cm-1 I=1.33E-38 g cm2 sigma=2 n=2 See Gurvich |