- Fraction Csp3
- 0.22
- Log K p (skin permeation)
- -6.32 cm/s
- Log S (Ali)
- -2.21
- Log S (ESOL)
- -1.99
- Log S (SILICOS-IT)
- -1.98
- LogP
- 1.23
- Molar Refractivity
- 44.98
- Num. H-bond acceptors
- 3.0
- Num. H-bond donors
- 2.0
- Num. arom. heavy atoms
- 6
- Num. heavy atoms
- 12
- Num. rotatable bonds
- 2
- PSA
- 57.53 Ų
- 储存条件
- 室温
- 密度
- 1.3±0.1 g/cm³
- 折射率
- 1.585
- 沸点
- 346.0±27.0 °C (760 mmHg)
- 溶解度
- 1.7 mg/ml ; 0.0102 mol/l
- 精确质量
- 166.062988
- 蒸汽压
- 0.0±0.8 mmHg (25 °C)
- 酸度系数(pKa)
- 4.51±0.10 (Predicted)
- 闪点
- 177.3±20.2 °C
