4-正庚基苯甲酸-4-正戊基苯酯 | 79606-05-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 中文名称: 4-正庚基苯甲酸-4-正戊基苯酯
• 中文别名: 4-戊基-4-庚基苯甲酸苯酯
• 英文名称: 4-Pentylphenyl 4-heptylbenzoate
• 英文别名: (4-pentylphenyl) 4-heptylbenzoate
• CAS: 79606-05-6
• 化学式: C₂₅H₃₄O₂
• 分子量: 366.5
• InChiKey: ANBMVPQBRCOMBX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.3
• 重原子数：
  27
• 可旋转键数：
  13
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• [EN] ELECTRO-OPTICAL LIQUID CRYSTAL SYSTEM
  申请人：MERCK PATENT GESELLSCHAFT MIT BESCHRÄNKTER HAFTUNG

  公开号：WO1991005029A1

  公开（公告）日：1991-04-18

  (DE) Die Erfindung betrifft ein elektrooptisches Flüssigkristallsystem des Typs P.D.L.C., N.C.A.P. oder P.N., welches zwischen zwei Elektroden, die gegebenenfalls auf Substratplatten aufgebracht sind, eine dielektrisch positive Flüssigkristallmischung und ein weiteres optisch transparentes Medium enthält, dessen Flüssigkristallmischung eine oder mehrere Verbindungen der Formel (I) enthält, worin Q1 ist (a), (b) und (c) unabhängig voneinander trans-1,4-Cyclohexylen, 1,4-Phenylen, 2-Fluor-1,4-phenylen, 3-Fluor-1,4-phenylen und einer von A1 und, soweit vorhanden, A2, auch Pyridin-2,5-diyl, Pyrimidin-2,5-diyl, 1,3-Dioxan-2,5-diyl, Tetrahydropyran-2,5-diyl oder Naphtalin-2,6-diyl, Z1 und Z2 unabhängig voneinander eine Einfachbindung, -CH2CH2-, -COO-, -OCO-, -C=C-, -CH2O- oder beliebige Kombinationen dieser Brückengruppen, Y und X unabhängig voneinander H oder F, einer von X und Y auch Cl, W -CN, -Cl, -F, -CF3, -OCF3, -OCHF2, -NCS oder R2, R1 und R2 unabhängig voneinander Alkyl mit 1-12 C-Atomen, worin auch eine oder zwei nicht benachbarte CH2-Gruppen durch -O- oder -HC=CH- ersetzt sein können, und m 0, 1 oder 2 bedeuten.(EN) An electro-optical liquid crystal system of the type P.D.L.C., N.C.A.P. or P.N. comprises a dielectrically positive liquid crystal mixture and another optically transparent medium between two electrodes which may be mounted on substrate plates. The liquid crystal mixture contains one or more compounds of formula (I), where Q1 is (a), (b) and (c) independently stand for trans-1,4-cyclohexylene, 1,4-phenylene, 2-fluor-1,4-phenylene, 3-fluor-1,4-phenylene and one of A1 and, if present, A2 also stands for pyridine-2,5-diyl, pyrimidine-2,5-diyl, 1,3-dioxane-2,5-diyl, tetrahydropyrane-2,5-diyl or naphthalene-2,6-diyl, Z1 and Z2 independently stand for a single bond, -CH2CH2-, -COO-, -OCO-, -C=C-, -CH2O- or any combination of these bridge groups, Y and X independently stand for H or F, one of X and Y also stands for Cl, W stands for -CN, -Cl, -F, -CF3, -OCF3, -OCHF2, -NCS or R2, R1 and R2 independently stand for alkyl with 1 to 12 C atoms in which one or 2 non-neighbouring CH2 groups can also be replaced by -O- or -HC=CH-, and m = 0, 1 or 2.(FR) Un système mésomorphe électro-optique du type P.D.L.C., N.C.A.P. ou P.N. comporte un mélange de cristaux liquides diélectriquement positif et un autre milieu optiquement transparent, entre deux électrodes qui peuvent être montées sur des plaques de substrat. Le mélange de cristaux liquides renferme un ou plusieurs composés de formule (I), où Q1 est (a), (b) et (c) sont indépendamment trans-1,4-cyclohéxylène, 1,4-phénylène, 2-fluor-1,4-phénylène, 3-fluor-1,4-phénylène et un élément de A1 et, s'il est présent, de A2 représente également pyridine-2,5-diyl, pyrimidine-2,5-diyl, 1,3-dioxane-2,5-diyl, tétrahydropyrane-2,5-diyl ou naphthaline-2,6-diyl, Z1 et Z2 représentent indépendamment une liaison simple, -CH2CH2-, -COO-, -OCO-, -C=C-, -CH2O- ou bien des combinaisons quelconques de ces groupes pont, Y et X représentent indépendamment H ou F, un de X et Y représente également Cl, W représente -CN, -Cl, -F, -CF3, -OCF3, -OCHF2, -NCS ou R2, R1 et R2 sont indépendamment alkyle avec 1 à 12 atomes de C, où un ou deux groupes CH2 non adjacents peuvent aussi être remplacés par -O- ou -HC=CH-, et m vaut 0, 1 ou 2.

  这是一项涉及电光液体晶体系统的发明。该系统为P.D.L.C.、N.C.A.P.或P.N.类型，位于两个电极之间，电极上可附着于衬底层。液态晶体混合物中包含一种或多种由式子(I)表示的化合物，其中Q1为(a)、(b)、(c)分别代表顺式-1,4-环己烷二烯、1,4-苯二烯、2-氟-1,4-苯二烯、3-氟-1,4-苯二烯，以及A1和（若有）A2分别代表吡啶-2,5-二元、嘌呤-2,5-二元、1,3-二甲基醚-2,5-二元、四氢呋喃-2,5-二元或萘-2,6-二元。Z1和Z2各自独立地代表一个单键、- -、-COO-、-OCO-、-C=C-、-CH2O-或其他这些桥接基团的组合，Y和X各自独立地代表H或F，其中X和Y中的一种也代表Cl，W代表-CN、-Cl、-F、-CF3、-O 、-OCHF2、-NCS或R2，R1和R2各自独立地代表1至12个碳原子的烷基，其中一种或两种非邻近的CH2基团还可以分别用-O-或-HC=CH-替代，且m=0、1或2。
• DISPLAY ELEMENT BASED ON THE ELECTROCLINIC EFFECT
  申请人：MERCK PATENT GmbH

  公开号：EP0391986A1

  公开（公告）日：1990-10-17
• ELEKTROOPTISCHES FLÜSSIGKRISTALLSYSTEM
  申请人：MERCK PATENT GmbH

  公开号：EP0452460B1

  公开（公告）日：1995-01-18
• PHASE CHANGE MATERIALS FOR ENHANCED HEAT TRANSFER FLUID PERFORMANCE
  申请人：ExxonMobil Research and Engineering Company

  公开号：US20190203138A1

  公开（公告）日：2019-07-04

  A composition for enhanced heat transfer fluid performance. The composition includes at least one base heat transfer fluid. The at least one base heat transfer fluid undergoes one or more phase changes in a heat transfer process. The heat transfer process includes a heated zone and/or a cooled zone. The one or more phase changes increase heat removal from the heated zone and/or increase heat rejection in the cooled zone, as compared to heat removal from a heated zone and/or heat rejection in a cooled zone of a heat transfer process having a base heat transfer fluid that does not undergo one or more phase changes. The base heat transfer fluids can exhibit liquid crystal behavior (e.g., heat transfer fluids having nematic, smectic or discotic liquid crystals). A method for conducting heat transfer in a heating and/or cooling system using the compositions comprising the base heat transfer fluids.
• FLAT VISCOSITY FLUIDS AND LUBRICATING OILS BASED ON LIQUID CRYSTAL BASE STOCKS
  申请人：ExxonMobil Research and Engineering Company

  公开号：US20190203151A1

  公开（公告）日：2019-07-04

  Provided is a lubricant base stock, a lubricating oil including the lubricant base stock and a method for improving viscosity temperature performance or viscosity index of an engine or other mechanical component lubricated with the lubricating oil. The lubricant base stock includes one or more liquid crystals represented by the formula: R1-(A) m -Y—(B) n —R2 wherein R1 and R2 are the same or different and are a substituted or unsubstituted, alkyl or alkoxy group having from 0 to 24 carbon atoms; A and B are the same or different and are a cycloaliphatic group or aromatic group, provided at least one of A and B is an aromatic group; Y is a covalent bond, —CH2-CH2-, —CH═CH—, —C≡C—, —OCOO—, —COO—, —CO—, —CSO—, —CSS—, —CS—, —O—, —S—, —SO—, —SO2-, —CH2O—, —OCH2O—, —NO—, —ONO2, —COOH, —OH, or —C≡N; and m and n are independently 0, 1, 2 or 3. The lubricant base stock has a kinematic viscosity of 2 cSt to 28 cSt at 40° C., and 1 cSt to 12 cSt at 100° C.