己烷性质表

己烷的一些性质如下所述。

基本信息

  • 中文名:己烷、正己烷
  • 化学式:C6H14
  • CAS号:110-54-3、21666-38-6(氘代,d14)、4206-30-8(甲基氘代,d1)、32740-20-8(甲基氘代,d6
  • 英文名:n-hexane
  • 外观:无色液体

结构性质

结构性质
折射率, nD 1.3727 at 20 °C
阿贝数 ?
介电常数, εr 1.890 ε0 at 20 °C
键长 20 pm
晶体结构 参见文献[1][2]
表面张力[3] 20.5 dyn/cm at 0 °C
18.4 dyn/cm at 20 °C
13.4 dyn/cm at 68 °C
黏度[4] 0.4012 mPa·s at 0 °C
0.3258 mPa·s at 20 °C
0.2798 mPa·s at 40 °C
0.2288 mPa·s at 80 °C

热力学性质

相性质
三相点 178.0 K (–95.1 °C), 1.23 Pa
临界点 507.6 K (234.5 °C), 3020 kPa
熔点 −95.3 °C(177.8 K)[5]
沸点 68.7 °C(341.8 K)[5]
59.12 °C(332.27 K)(556 torr)
62.93 °C(336.08 K)(630.9 torr)
64.79 °C(337.94 K)(670.8 torr)[6]
标准熔化焓变, ΔfusHo 13 kJ/mol
标准熔化熵变, ΔfusSo 70 J/(mol·K)
标准汽化焓变, ΔvapHo 28.85 kJ/mol at 68.8 °C
标准汽化熵变, ΔvapSo ? J/(mol·K)
固体性质
标准摩尔生成焓, ΔfHosolid ? kJ/mol
标准摩尔熵,Sosolid ? J/(mol K)
热容量, cp ? J/(mol K)
液体性质
标准摩尔生成焓, ΔfHoliquid –198.7 kJ/mol
标准摩尔熵,
Soliquid
295 J/(mol K)
燃烧热, ΔcHo –4163 kJ/mol
热容量, cp 197.66 J/(mol K)
气体性质
标准摩尔生成焓, ΔfHogas –167.2 kJ/mol
标准摩尔熵,
Sogas
388.82 J/(mol K)
热容量, cp 142.6 J/(mol K) at 25 °C
范德华常熟[7] a = 2471 L2 kPa·mol−2
b = 0.1735 L·mol−1

液体蒸汽压

压力(mm Hg) 1 10 40 100 400 760 1520 3800 7600 15200 30400 45600
温度(°C) –53.9 –25.0 –2.3 15.8 49.6 68.7 93.0 131.7 166.6 209.4  —  —

数据来源:CRC Handbook of Chemistry and Physics 44th ed.

 
己烷的蒸汽压(log10,使用的公式为:  ,数据来自CHERIC[8]

蒸馏数据

正己烷/乙醇的气液平衡[9]
P = 760 mm Hg
沸点
°C
mol%(乙醇)
76.0 99.0 90.5
73.2 98.0 80.7
67.4 94.0 63.5
65.9 92.0 58.0
61.8 84.8 46.8
59.4 75.5 39.5
58.7 66.7 37.0
58.35 54.8 36.0
58.1 41.2 35.0
58.0 33.0 34.0
58.25 27.5 33.0
58.45 23.5 32.5
59.15 10.2 29.0
60.2 4.5 25.5
63.5 1.0 16.0
66.7 0.6 6.5
   
正己烷/甲醇的气液平衡[9]
P = 760 mm Hg
沸点
°C
mol%(甲醇)
56.9 1.0 30.0
51.3 2.2 41.8
51.2 4.0 43.9
50.5 9.5 47.7
49.9 17.5 49.1
50.0 28.3 49.6
49.9 40.5 49.7
49.0 52.5 50.2
49.9 70.4 50.0
49.9 72.4 50.0
50.2 84.6 51.6
50.1 85.4 51.6
50.2 87.5 51.5
51.4 90.6 55.0
51.2 90.6 55.1
51.7 92.2 56.0
51.6 92.3 56.0
52.8 94.9 61.2
53.8 95.7 63.5
54.7 96.5 66.4
55.8 96.5 69.5
55.6 96.8 69.4
58.2 97.7 76.8
57.9 97.8 75.5
63.0 99.3 93.5
63.5 99.55 95.0
   
正己烷/正庚烷的气液平衡[9]
P = 101.0 kPa
沸点
°C
mol%(己烷)
98.32 0.00 0.00
96.30 3.83 8.52
94.03 9.64 19.86
92.35 13.63 27.31
90.37 19.04 36.00
88.26 24.59 44.07
85.96 31.46 52.58
83.22 39.53 62.36
82.41 43.21 65.34
80.80 48.53 70.30
79.78 51.23 72.70
78.79 55.71 76.22
77.12 61.87 80.74
75.57 68.24 84.95
74.98 70.12 86.15
73.51 76.79 89.93
81.40 81.60 92.40
70.59 89.91 96.37
68.66 100.00 100.00

谱图数据

UV-Vis
λmax ? nm
消光系数, ε ?
IR
主要吸收峰 ? cm−1
NMR
1H NMR (CDCl3, 400 MHz) δ 1.35-1.23 (m, 8H), 0.91-0.86 (m, 6H)
13C NMR (CDCl3, 25 MHz) δ 31.9, 22.9, 12.2
MS
主要碎片质量  

参考文献

  1. ^ Heiko Morell, Klaus Angermund, Andrew R. Lewis, Darren H. Brouwer, Colin A. Fyfe, Hermann Gies. Structural Investigation of Silicalite-I Loaded with n -Hexane by X-ray Diffraction, 29 Si MAS NMR, and Molecular Modeling. Chemistry of Materials. 2002-05, 14 (5): 2192–2198 [2021-01-19]. ISSN 0897-4756. doi:10.1021/cm011267f (英语). 
  2. ^ E.S Shubina, E.V Bakhmutova, A.M Filin, I.B Sivaev, L.N Teplitskaya, A.L Chistyakov, I.V Stankevich, V.I Bakhmutov, V.I Bregadze, L.M Epstein. Dihydrogen bonding of decahydro-closo-decaborate(2−) and dodecahydro-closo-dodecaborate(2−) anions with proton donors: experimental and theoretical investigation. Journal of Organometallic Chemistry. 2002-09, 657 (1-2): 155–162 [2021-01-19]. doi:10.1016/S0022-328X(02)01380-3. (原始内容存档于2018-06-30) (英语). 
  3. ^ Lange's Handbook of Chemistry, 10th ed, pp 1661-1663
  4. ^ Lange's Handbook of Chemistry, 10th ed, pp 1669-1674
  5. ^ 5.0 5.1 Gabriel Bernardo, Drahosh Vesely. Solubility of alkanes in a polystyrene matrix. Journal of Applied Polymer Science. 2008-11-15, 110 (4): 2393–2398 [2021-01-19]. doi:10.1002/app.28758 (英语). 
  6. ^ Zieborak, K. The boiling-temperature isobars of liquid mixtures near the critical solubility temperature in the hexane-aniline system. Bulletin de l'Academie Polonaise de Sciences, Serie des Sciences, Chimiques, Geologiques et Geographiques, 1958. 6: 443-447. ISSN: 0366-2594.
  7. ^ Lange's Handbook of Chemistry 10th ed, pp 1522-1524
  8. ^ Pure Component Properties (Queriable database). Chemical Engineering Research Information Center. [25 May 2007]. (原始内容存档于2007-06-03). 
  9. ^ 9.0 9.1 9.2 Binary Vapor-Liquid Equilibrium Data. Chemical Engineering Research Information Center. [25 May 2007]. (原始内容存档于2007-08-29).