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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 |
INChI | INChIKey | SMILES | IUPAC name |
---|---|---|---|
InChI=1S/AsH2/h1H2 | WLQSSCFYCXIQDZ-UHFFFAOYSA-N | [AsH2] |
State | Conformation |
---|---|
2A1 | C2V |
Property | Value | Uncertainty | units | Reference | Comment |
---|---|---|---|---|---|
Hfg(298.15K) ![]() |
167.73 | 1.30 | kJ mol-1 | 1993Jor/Rob:215 | |
Hfg(0K) ![]() |
171.29 | 1.30 | kJ mol-1 | 1993Jor/Rob:215 | |
Entropy (298.15K) ![]() |
225.19 | J K-1 mol-1 | 1993Jor/Rob:215 | ||
Integrated Heat Capacity (0 to 298.15K) ![]() |
10.03 | kJ mol-1 | 1993Jor/Rob:215 | ||
Heat Capacity (298.15K) ![]() |
35.10 | J K-1 mol-1 | 1993Jor/Rob:215 |
Mode Number | Symmetry | Frequency | Intensity | Comment | Description | ||||
---|---|---|---|---|---|---|---|---|---|
Fundamental(cm-1) | Harmonic(cm-1) | Reference | (km mol-1) | unc. | Reference | ||||
1 | A1 | 2097 | 2007He/Clo:154312 | ||||||
2 | A1 | 984 | 2007He/Clo:154312 |
A | B | C | reference | comment |
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Product of moments of inertia ![]() | ||||
---|---|---|---|---|
amu3Å6 | 0 | gm3 cm6 |
Point Group C2v
Description | Value | unc. | Connectivity | Reference | Comment | |||
---|---|---|---|---|---|---|---|---|
Atom 1 | Atom 2 | Atom 3 | Atom 4 |
Atom | x (Å) | y (Å) | z (Å) |
---|
Bond descriptions
Bond Type | Count |
---|---|
H-As | 2 |