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环己烷甲酸性质表

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环己烷甲酸的一些性质如下所述。

基本信息

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  • 中文名:环己烷甲酸、环己基甲酸
  • 化学式:C7H12O2
  • CAS号:98-89-5
  • 英文名:cyclohexanecarboxyli​c acid; cyclohexylmethanoic acid
  • 外观:无色晶体

结构与性质

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结构与性质
折射率, nD 1.4530(20 °C)[1]
阿贝数 ?
介电常数, εr ?
极性分子表面积 37.3 Å2[2]
晶体性质
共晶(与异烟酰胺[3] I型:a=6.9587,b=9.0375,c=12.3302 Å,α=68.763,β=76.211,γ=82.636°,P1,343 K
II型:a=6.991,b=8.981,c=11.298 Å,α=67.479,β=81.065,γ=83.458°,P1,173 K
共晶(与六亚甲基四胺[4] a=6.0341,b=30.9087,c=11.7024 Å,β=103.366 °,P21/n,173 K

热力学性质

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相性质
熔点 30—31 °C(303—304 K)[5]
沸点 234—235 °C(507—508 K)[6]
145 °C(418 K)(25 Torr)[7]
233 °C(506 K)(746 Torr)[8]
临界点 446 °C,37.4 atm[9]
临界密度 0.330 g·cm−3
熔化焓变(ΔfusH 9.197 kg·mol−1[10]
摩尔体积 124.1 cm3·mol−1[10]
气态时解离
AH = A + H+
ΔG0(300K)= 338.1 kcal·mol−1
ΔH = 345.1 kcal·mol−1
液体性质
蒸气压 0.0200 Torr(25 °C)[2]
5.358 mmHg(100 °C)
14.962 mmHg(120 °C)[9]
密度 1.042 g·cm−3(40 °C)
1.004 g·cm−3(90 °C)
0.9794 g·cm−3(120 °C)
表面张力 29.10 dyn·cm−1(40 °C)
24.02 dyn·cm−1(100 °C)
15.95 dyn·cm−1(200 °C)
固体性质
共晶温度(1-辛醇 环己基甲酸 x1,e = 0.670,T1,e = 251.1 K
环己基乙酸 x1,e = 0.720, T1,e = 251.7 K[10]

溶解度数据

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溶解度
pKa 4.91±0.10(25 °C)[2]
溶解度(水,25 °C)(g/L) 7.8(pH=1)
7.8(pH=2)
7.9(pH=3.06)
8.8(pH=8.8)
18(pH=5)
947(pH=7)[2]
溶解度(水,25 °C)(mol/L) 0.061(pH=1)
0.062(pH=3.06)
7.39(pH=7)[2]

化学品安全技术说明书

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环己烷甲酸的安全技术说明书(MSDS)可以参见此页面(Merck)

参考文献

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  1. ^ Herbert Koch. Carboxylic acids. DE 942987, 1956.
  2. ^ 2.0 2.1 2.2 2.3 2.4 Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2019 ACD/Labs). Retrieved from SciFinder. [2019-10-25]
  3. ^ Andreas Lemmerer, Manuel A. Fernandes. Adventures in co-crystal land: high Z′, stoichiometric variations, polymorphism and phase transitions in the co-crystals of four liquid and solid cyclic carboxylic acids with the supramolecular reagent isonicotinamide. New Journal of Chemistry. 2012, 36 (11): 2242 [2022-01-21]. ISSN 1144-0546. doi:10.1039/c2nj40186j (英语). 
  4. ^ Andreas Lemmerer. Seven hexamethylenetetramine (HMTA) complexes with mono- and dicarboxylic acids: analysis of packing modes of HMTA complexes in the literature. Acta Crystallographica Section B Structural Science. 2011-04-01, 67 (2): 177–192 [2022-01-21]. ISSN 0108-7681. doi:10.1107/S0108768111004964. (原始内容存档于2022-06-18). 
  5. ^ Carl M. Hill, Mary E. Hill. Preparation and Properties of Pentamethylene-ketene Monomer and Dimer. Journal of the American Chemical Society. 1953-06, 75 (11): 2765–2766 [2019-10-25]. ISSN 0002-7863. doi:10.1021/ja01107a507. (原始内容存档于2019-10-25) (英语). 
  6. ^ Willstatter, Richard; Mayer, Erwin W. Reduction with platinum and hydrogen at the ordinary temperature. I. Berichte der Deutschen Chemischen Gesellschaft, 1908. 41: 1475-1480. ISSN: 0365-9496.
  7. ^ Jefferson T. Eaton, William D. Rounds, John H. Urbanowicz, Gordon W. Gribble. Hydrolysis in the absence of bulk water 1. Chemoselective hydrolysis of amides using tetrahalophthalic anhydrides. Tetrahedron Letters. 1988-01, 29 (50): 6553–6556 [2019-10-25]. doi:10.1016/S0040-4039(00)82395-3 (英语). 
  8. ^ Henry R. Henze, Arthur Furman Isbell. Researches on Substituted 5-Phenylhydantoins 1. Journal of the American Chemical Society. 1954-08, 76 (16): 4152–4156 [2019-10-25]. ISSN 0002-7863. doi:10.1021/ja01645a029 (英语). 
  9. ^ 9.0 9.1 卢焕章. 石油化工基础数据手册. 北京: 化工出版社. 1984. pp 668
  10. ^ 10.0 10.1 10.2 Urszula Domańska, Piotr Morawski, Maria Piekarska. Solubility of perfumery and fragrance raw materials based on cyclohexane in 1-octanol under ambient and high pressures up to 900 MPa. The Journal of Chemical Thermodynamics. 2008-04, 40 (4): 710–717 [2019-10-25]. doi:10.1016/j.jct.2007.10.004. (原始内容存档于2018-07-02) (英语).