2-Butanol
CAS Number: 78-92-2
Molecular Mass: 74.12 g/mol
Formula: C4H10O
Smiles: OC(C)CC
Melting point: -114.7 °C
Boiling point: 99.5 °C
Density: 0.8063 g/cm3
Dipole moment: - D
Refractive index: 1.3978
Density as a function of temperature
| Temperature [K] | Density | Reference | Comment |
|---|---|---|---|
| 273.15 | 0.8213 | Linstrom, P. J., & Mallard, W. G. (Eds.). NIST Chemistry WebBook | Interpolated value. Reference value ρ(20°C)=0.809 g/cm³, volumetric thermal expansion α=7.5e-4 °C⁻¹ |
| 283.15 | 0.8151 | Linstrom, P. J., & Mallard, W. G. (Eds.). NIST Chemistry WebBook | Interpolated value. Reference value ρ(20°C)=0.809 g/cm³, volumetric thermal expansion α=7.5e-4 °C⁻¹ |
| 293.15 | 0.809 | Linstrom, P. J., & Mallard, W. G. (Eds.). NIST Chemistry WebBook | Interpolated value. Reference value ρ(20°C)=0.809 g/cm³, volumetric thermal expansion α=7.5e-4 °C⁻¹ |
| 303.15 | 0.803 | Linstrom, P. J., & Mallard, W. G. (Eds.). NIST Chemistry WebBook | Interpolated value. Reference value ρ(20°C)=0.809 g/cm³, volumetric thermal expansion α=7.5e-4 °C⁻¹ |
| 313.15 | 0.797 | Linstrom, P. J., & Mallard, W. G. (Eds.). NIST Chemistry WebBook | Interpolated value. Reference value ρ(20°C)=0.809 g/cm³, volumetric thermal expansion α=7.5e-4 °C⁻¹ |
| 323.15 | 0.7912 | Linstrom, P. J., & Mallard, W. G. (Eds.). NIST Chemistry WebBook | Interpolated value. Reference value ρ(20°C)=0.809 g/cm³, volumetric thermal expansion α=7.5e-4 °C⁻¹ |
| 333.15 | 0.7854 | Linstrom, P. J., & Mallard, W. G. (Eds.). NIST Chemistry WebBook | Interpolated value. Reference value ρ(20°C)=0.809 g/cm³, volumetric thermal expansion α=7.5e-4 °C⁻¹ |
| 343.15 | 0.7798 | Linstrom, P. J., & Mallard, W. G. (Eds.). NIST Chemistry WebBook | Interpolated value. Reference value ρ(20°C)=0.809 g/cm³, volumetric thermal expansion α=7.5e-4 °C⁻¹ |
| 353.15 | 0.7742 | Linstrom, P. J., & Mallard, W. G. (Eds.). NIST Chemistry WebBook | Interpolated value. Reference value ρ(20°C)=0.809 g/cm³, volumetric thermal expansion α=7.5e-4 °C⁻¹ |
| 363.15 | 0.7686 | Linstrom, P. J., & Mallard, W. G. (Eds.). NIST Chemistry WebBook | Interpolated value. Reference value ρ(20°C)=0.809 g/cm³, volumetric thermal expansion α=7.5e-4 °C⁻¹ |
| 373.15 | 0.7632 | Linstrom, P. J., & Mallard, W. G. (Eds.). NIST Chemistry WebBook | Interpolated value. Reference value ρ(20°C)=0.809 g/cm³, volumetric thermal expansion α=7.5e-4 °C⁻¹ |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 66.4291 |
| PMI2 | 144.0737 |
| PMI3 | 190.5112 |
| NPR1 | 0.3487 |
| NPR2 | 0.7562 |
| RadiusOfGyration | 1.6447 |
| InertialShapeFactor | 0.0114 |
| Eccentricity | 0.9372 |
| Asphericity | 0.2933 |
| SpherocityIndex | 0.3764 |
| PBF | 0.5018 |