henicosane

• ChemBase编号: 109552
• 分子式: C21H44
• 平均质量: 296.57406
• 单一同位素质量: 296.34430141
• SMILES: CCCCCCCCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCC
• InChI: InChI=1S/C21H44/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-21H2,1-2H3
• InChIKey: FNAZRRHPUDJQCJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: henicosane
• IUPAC传统名: heneicosane
• 别名: 正二十一烷; n-HENEICOSANE; n-Heneicosane; n-Heneicosane; Henicosane; Heneicosane; Heneicosane

登记号

• CAS号: 629-94-7
• EC号: 211-118-9
• MDL号: MFCD00009346
• Beilstein号: 1748500
• PubChem SID: 24873809; 24857231; 162096295; 24873807
• PubChem CID: 12403

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 9.799668
• LogD (pH = 7.4): 9.799668
• Log P: 9.799668
• 摩尔折射率: 98.4232 cm^3
• 极化性: 39.53365 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 18
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 39-41 °C; 39-41 °C(lit.); 39-42 °C; 39-43°C
• 沸点: 100 °C/2 mmHg(lit.); 100°C/2mm; 356.1 °C/760 mmHg
• 闪点: >110°C(230°F); 113 °C; 235.4 °F
• 密度: 0.792
• 蒸汽压: <1 mmHg ( 20 °C)
• 蒸汽密度: 10.3 (vs air)

安全信息

• RTECS编号: 211-118-9
• 德国WGK号: 3
• TSCA收录: 是
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ≥98.0% (GC); ≥99.5% (GC); 98%; 99%
• 级别: analytical standard; purum
• 有效期: (limited shelf life, expiry date on the label)
• 线性分子式: CH3(CH2)19CH3

详细说明

MP Biomedicals - 05211565

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 286052

包装
1, 10 g in glass bottle

Toronto Research Chemicals - H245500

Heneicosane is a long chain saturated aliphatic hydrocarbon found in coal tars and fossil organic matter. Heneicosane has a high flashpoint which makes it an inefficient fuel for use in the petrochemical industry. Heneicosane is usually present in the for

参考文献

• El-Kotb, M. et al.: Energy Stor. Recov, Until. Environ. Eff., 28, 1113 (2006): Gilmour, I. et al.: Org. Geochem., 6, 665 (1984)
• Zhang, J.-Y. et al.: Jiang. Huag., 36, 17 (1984)