Water
CAS Number: 7732-18-5
Molecular Mass: 18.02 g/mol
Formula: H2O
Smiles: O
Melting point: 0.0 °C
Boiling point: 100.0 °C
Density: 0.995 g/cm3
Dipole moment: 1.8546 D
Refractive index: 1.333
Density as a function of temperature
| Temperature [K] | Density | Reference | Comment |
|---|---|---|---|
| 273.15 | 0.99984 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 283.15 | 0.9997 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 293.15 | 0.99821 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 303.15 | 0.99565 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 313.15 | 0.99222 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 323.15 | 0.98804 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 333.15 | 0.9832 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 343.15 | 0.97776 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 353.15 | 0.9718 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 363.15 | 0.96531 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
| 373.15 | 0.95835 | W. M. Haynes, CRC Handbook of Chemistry and Physics, 97th Ed | - |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 0.6375 |
| PMI2 | 1.1751 |
| PMI3 | 1.8126 |
| NPR1 | 0.3517 |
| NPR2 | 0.6483 |
| RadiusOfGyration | 0.3172 |
| InertialShapeFactor | 1.0169 |
| Eccentricity | 0.9361 |
| Asphericity | 0.3160 |
| SpherocityIndex | 0.0000 |
| PBF | 0.0000 |