Densities and speed of sound have been measured experimentally for binary mixtures of terpinolene with cresols (o-cresol, m-cresol, p-cresol) at three different temperatures 303.15, 308.15 and 313.15 K at atmospheric pressure. From primary physical properties, some secondary properties like molar volume (V_m), excess molar volume V, partial molar volume (,i) excess partial molar volume (,), apparent molar volume (V_m,φ,i), deviation in speed of sound (u), isentropic compressibility (s), deviation in isentropic compressibility (s), acoustical impedance (z), deviation in acoustical impedances (z), intermolecular free length (L_f), partial molar isentropic compression (,m,i), excess partial molar isentropic compression (,i) and apparent molar isentropic compression (K_s,m,φ,i) have been calculated. Infinite dilution apparent molar volume (V,φ,1), infinite dilution apparent molar isentropic compression(K_s,m,φ,1), empirical parameters S_v, B_v and S_k, B_k of the Redlich-Rosenberg-Mayer equation with the limiting apparent molar expansibility (E) have been also calculated along with some theoretical speed of sound calculating relations such as Nomoto relation (u_nmt), Ideal mixture relation (u_imr, Junji relation (u_junji) and Free length theory relation (u_flt) with their standard deviation (σ). All the calculated values of excess/deviation properties have been fitted with the fourth order Redlich-Kister polynomial equation and their standard deviation (σ) values are also calculated. FTIR spectral analysis of binary mixtures at 4:1, 1:1 and 1:4 composition ratios have been carried out at 298.15 K. Computational calculations such as optimization of pure and binary mixtures in gas phase, bond length, Mulliken charges, theoretical vibrational frequencies and NBO calculations on basis of the DFT (Density Functional Theory) have been also carried out. The results are discussed in term of presence of intermolecular interactions, types, strength and behavior with change of temperatures and cresol components in binary mixtures.

中文翻译：

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萜品油烯与甲酚的分子间相互作用的热物理，声学，光谱和DFT研究

在大气压下，在三个不同的温度303.15、308.15和313.15 K上，实验测量了萜品油烯与甲酚（邻甲酚，间甲酚，对甲酚）的二元混合物的密度和声速。从主要物理性质来看，一些次要性质如摩尔体积（V _m），过量摩尔体积V，部分摩尔体积（，i）过量部分摩尔体积（，），表观摩尔体积（V _m，φ，i），声音（的速度ü），等熵压缩（小号），偏差等熵压缩（小号），声阻抗（Z），在偏离声学阻抗（z），分子间自由长度（L _f），部分摩尔等熵压缩（，m，i），过量部分摩尔等熵压缩（，i）和表观摩尔等熵压缩（K _{s，m，φ，i}）。Redlich-Rosenberg-Mayer的无限稀释表观摩尔体积（V ，φ，1），无限稀释表观摩尔等熵压缩（K _{s，m，φ，1}），经验参数S _v，B _v和S _k，B _k还计算了具有极限表观摩尔膨胀率（E ）的方程，并结合了一些理论声速计算关系，例如Nomoto关系（u _nmt），理想混合关系（u _imr，顺治关系（u _junji）和自由长度理论关系（u _flt）及其标准偏差（σ）。所有计算的过剩/偏差特性值都已与四阶Redlich-Kister多项式方程式拟合，并且还计算了它们的标准偏差（σ）值。已在298.15 K下进行了4：1、1：1和1：4组成比的二元混合物的FTIR光谱分析。计算方法包括优化气相中的纯净和二元混合物，键长，Mulliken电荷，理论振动还已经进行了基于DFT（密度泛函理论）的频率和NBO计算。根据二元混合物中分子间相互作用，类型，强度和行为随温度和甲酚成分变化的存在，对结果进行了讨论。