- Fraction Csp3
- 0.33
- Log K p (skin permeation)
- -5.99 cm/s
- LogP
- 1.42
- LogS
- -2.21 (Ali)
- Molar Refractivity
- 39.66
- Num. H-bond acceptors
- 2.0
- Num. H-bond donors
- 0.0
- Num. arom. heavy atoms
- 6
- Num. heavy atoms
- 9
- Num. rotatable bonds
- 0
- PSA
- 25.78 Ų
- Synthetic accessibility
- 1.74
- 储存
- 2-8°C
- 密度
- 1.5±0.1 g/cm³
- 折射率
- 1.551
- 沸点
- 279.9±43.0 °C (760 mmHg)
- 溶解度
- 0.312 mg/ml ; 0.00167 mol/l
- 熔点
- 71-72 °C
- 精确质量
- 185.979248
- 蒸汽压
- 0.0±0.6 mmHg (25 °C)
- 酸度系数(pKa)
- -0.04±0.30 (Predicted)
- 闪点
- 123.1±28.2 °C
