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, n_D	1.3727 at 20 °C
阿贝数	?
介电常数, ε_r	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, Δ_fusH^o	13 kJ/mol
标准熔化熵变, Δ_fusS^o	70 J/(mol·K)
标准汽化焓变, Δ_vapH^o	28.85 kJ/mol at 68.8 °C
标准汽化熵变, Δ_vapS^o	? J/(mol·K)
固体性质
标准摩尔生成焓, Δ_fH^o_solid	? kJ/mol
标准摩尔熵,S^o_solid	? J/(mol K)
熱容量, c_p	? J/(mol K)
液体性质
标准摩尔生成焓, Δ_fH^o_liquid	–198.7 kJ/mol
标准摩尔熵, S^o_liquid	295 J/(mol K)
燃烧热, Δ_cH^o	–4163 kJ/mol
熱容量, c_p	197.66 J/(mol K)
气体性质
标准摩尔生成焓, Δ_fH^o_gas	–167.2 kJ/mol
标准摩尔熵, S^o_gas	388.82 J/(mol K)
熱容量, c_p	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： $\scriptstyle \log _{e}P_{mmHg}=$ $\scriptstyle \log _{e}({\frac {760}{101.325}})-13.99935\log _{e}(T+273.15)-{\frac {7284.572}{T+273.15}}+105.9605+1.410325\times 10^{-5}(T+273.15)^{2}$ ，数据来自CHERIC^[8]

蒸馏数据

沸点 °C	mol%（乙醇）
正己烷/乙醇的气液平衡^[9] P = 760 mm Hg
沸点 °C	液	气
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

沸点 °C	mol%（甲醇）
正己烷/甲醇的气液平衡^[9] P = 760 mm Hg
沸点 °C	液	气
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

沸点 °C	mol%（己烷）
正己烷/正庚烷的气液平衡^[9] P = 101.0 kPa
沸点 °C	液	气
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
λ_max	? 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

^ 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）.
^ 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）.
^ Lange's Handbook of Chemistry, 10th ed, pp 1661-1663
^ Lange's Handbook of Chemistry, 10th ed, pp 1669-1674
^ ^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）.
^ 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.
^ Lange's Handbook of Chemistry 10th ed, pp 1522-1524
^ Pure Component Properties (Queriable database). Chemical Engineering Research Information Center. [25 May 2007]. （原始内容存档于2007-06-03）.
^ ^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）.

NIST Standard Reference Database. [2021-01-19]. （原始内容存档于2007-05-23）.

[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

[Bernardo-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.

[lange1522-7] Lange's Handbook of Chemistry 10th ed, pp 1522-1524

[cheric_p-8] Pure Component Properties (Queriable database). Chemical Engineering Research Information Center. [25 May 2007]. （原始内容存档于2007-06-03）.

[cheric_b-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）.

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