Excess Thermodynamic Properties and FTIR Studies of Binary Mixtures of Toluene with 2-Propanol or 2-Methyl-1-Propanol
Abstract
:1. Introduction
2. Results and Discussion
2.1. Density and Viscosity
Component | T/(K) | ρ/(g·cm−3) | η/(mPas) | ||
---|---|---|---|---|---|
This Work | Lit. Value | This Work | Lit. Value | ||
Toluene | 293.15 | 0.8665 | 0.86686 [19] | 0.596 | 0.598 [19] |
0.866859 [20] | 0.59610 [20] | ||||
298.15 | 0.8622 | 0.86220 [19] | 0.567 | 0.569 [19] | |
0.862214 [21] | 0.56703 [20] | ||||
0.862206 [20] | |||||
0.86121 [13] | |||||
303.15 | 0.8579 | 0.85754 [19] | 0.522 | 0.522 [22] | |
0.857552 [21] | 0.526 [12] | ||||
0.857541 [20] | |||||
0.85755 [22] | |||||
0.8578 [12] | |||||
308.15 | 0.8537 | 0.85285 [19] | 0.498 | 0.509 [19] | |
0.852858 [21] | 0.493 [22] | ||||
0.852861 [20] | 0.4980 [14] | ||||
0.85384 [13] | |||||
0.85272 [22] | |||||
313.15 | 0.8493 | 0.84816 [19] | 0.483 | 0.485 [19] | |
0.84836 [21] | 0.48657 [20] | ||||
0.848164 [20] | |||||
0.84802 [22] | |||||
2-propanol | 293.15 | 0.7860 | 0.78525 [23] | 2.414 | 2.3621 [23] |
0.78544 [11] | 2.3621 [11] | ||||
0.78535 [24] | 2.414 [24] | ||||
298.15 | 0.7825 | 0.78116 [13] | 2.045 | 2.035 [13] | |
0.78110 [24] | 2.070 [24] | ||||
0.7810 [25] | 2.08 [25] | ||||
303.15 | 0.7774 | 0.7768 [23] | 1.791 | 1.8014 [23] | |
0.77675 [11] | 1.7694 [11] | ||||
0.77712 [24] | 1.785 [24] | ||||
0.7767 [25] | 1.79 [25] | ||||
308.15 | 0.7730 | 0.77131 [13] | 1.550 | 1.535 [13] | |
0.77288 [24] | 1.546 [24] | ||||
0.7721 [25] | 1.58 [25] | ||||
313.15 | 0.7689 | 0.7680 [23] | 1.327 | 1.3311 [23] | |
0.76798 [11] | 1.3297 [11] | ||||
0.76879 [24] | 1.347 [24] | ||||
0.7678 [25] | 1.34 [25] | ||||
2-methyl-1-propanol | 293.15 | 0.8014 | 0.80175 [11] | 3.929 | 3.943 [28] |
0.80148 [26] | 4.0516 [27] | ||||
0.80203 [27] | |||||
0.80168 [28] | |||||
298.15 | 0.7974 | 0.79816 [27] | 3.408 | 3.4307 [27] | |
0.798033 [29] | 3.4023 [29] | ||||
0.79774 [28] | 3.332 [28] | ||||
303.15 | 0.7920 | 0.79399 [11] | 2.923 | 2.877 [11] | |
0.79360 [26] | 2.9226 [27] | ||||
0.79425 [27] | 2.884 [28] | ||||
0.79432 [28] | |||||
308.15 | 0.7879 | 0.79056 [14] | 2.554 | 2.5057 [14] | |
0.78966 [26] | 2.5053 [27] | ||||
0.79031 [27] | |||||
313.15 | 0.7832 | 0.78604 [11] | 2.187 | 2.091 [11] | |
0.78572 [26] | 2.1612 [27] | ||||
0.78631 [27] |
x1 | T/(K) | ||||
---|---|---|---|---|---|
293.15 | 298.15 | 303.15 | 308.15 | 313.15 | |
toluene (1) + 2-propanol (2) | |||||
0.1020 | 0.7949 | 0.7915 | 0.7866 | 0.7825 | 0.7785 |
0.2001 | 0.8031 | 0.7995 | 0.7949 | 0.7908 | 0.7869 |
0.3004 | 0.8110 | 0.8074 | 0.8029 | 0.7988 | 0.7949 |
0.4030 | 0.8188 | 0.8150 | 0.8107 | 0.8066 | 0.8026 |
0.5051 | 0.8263 | 0.8225 | 0.8182 | 0.8141 | 0.8102 |
0.6029 | 0.8338 | 0.8299 | 0.8257 | 0.8216 | 0.8176 |
0.7052 | 0.8422 | 0.8384 | 0.8342 | 0.8301 | 0.8262 |
0.7998 | 0.8503 | 0.8463 | 0.8421 | 0.8380 | 0.8339 |
0.9005 | 0.8585 | 0.8543 | 0.8501 | 0.8460 | 0.8417 |
toluene (1) + 2-methyl-1-propanol (2) | |||||
0.1000 | 0.8072 | 0.8033 | 0.7981 | 0.7942 | 0.7896 |
0.1969 | 0.8129 | 0.8091 | 0.8041 | 0.8002 | 0.7957 |
0.3008 | 0.8192 | 0.8153 | 0.8105 | 0.8065 | 0.8021 |
0.3922 | 0.8248 | 0.8209 | 0.8161 | 0.8121 | 0.8077 |
0.4947 | 0.8313 | 0.8273 | 0.8226 | 0.8186 | 0.8142 |
0.5952 | 0.8377 | 0.8337 | 0.8291 | 0.8251 | 0.8207 |
0.6936 | 0.8443 | 0.8403 | 0.8358 | 0.8318 | 0.8275 |
0.7941 | 0.8514 | 0.8473 | 0.8429 | 0.8388 | 0.8345 |
0.8965 | 0.8587 | 0.8545 | 0.8502 | 0.8461 | 0.8417 |
x1 | T/(K) | ||||
---|---|---|---|---|---|
293.15 | 298.15 | 303.15 | 308.15 | 313.15 | |
toluene (1) + 2-propanol (2) | |||||
0.1020 | 1.720 | 1.468 | 1.294 | 1.171 | 1.013 |
0.2001 | 1.338 | 1.144 | 1.039 | 0.939 | 0.824 |
0.3004 | 1.072 | 0.942 | 0.865 | 0.797 | 0.714 |
0.4030 | 0.882 | 0.788 | 0.732 | 0.688 | 0.624 |
0.5051 | 0.770 | 0.697 | 0.653 | 0.609 | 0.570 |
0.6029 | 0.698 | 0.637 | 0.601 | 0.557 | 0.534 |
0.7052 | 0.647 | 0.594 | 0.566 | 0.530 | 0.507 |
0.7998 | 0.619 | 0.582 | 0.546 | 0.518 | 0.495 |
0.9005 | 0.608 | 0.575 | 0.543 | 0.506 | 0.487 |
toluene (1) + 2-methyl-1-propanol (2) | |||||
0.1000 | 2.749 | 2.392 | 2.066 | 1.861 | 1.632 |
0.1969 | 2.132 | 1.848 | 1.636 | 1.476 | 1.297 |
0.3008 | 1.626 | 1.411 | 1.297 | 1.186 | 1.024 |
0.3922 | 1.316 | 1.146 | 1.074 | 0.992 | 0.862 |
0.4947 | 1.086 | 0.969 | 0.878 | 0.816 | 0.739 |
0.5952 | 0.923 | 0.869 | 0.765 | 0.708 | 0.667 |
0.6936 | 0.813 | 0.771 | 0.704 | 0.655 | 0.615 |
0.7941 | 0.717 | 0.689 | 0.635 | 0.594 | 0.558 |
0.8965 | 0.651 | 0.631 | 0.585 | 0.561 | 0.533 |
2.2. Thermodynamic Functions of Activation
2.3. Excess Properties
2.4. Apparent and Partial Molar Volumes
2.5. Prigogine–Flory–Patterson (PFP) Theory
2.6. FTIR Spectra
3. Materials and Methods
3.1. Materials
3.2. Experimental Analysis
3.3. Spectral Analyses
4. Conclusions
Supplementary Materials
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Conflicts of Interest
References
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x1 | ∆H≠ (kJ/mol) | ∆S≠ (J/mol·K) | ∆G≠ (kJ/mol) T/(K) | ||||
---|---|---|---|---|---|---|---|
293.15 | 298.15 | 303.15 | 308.15 | 313.15 | |||
toluene (1) + 2-propanol (2) | |||||||
0.0000 | 21.66 | 22.88 | 14.95 | 14.84 | 14.72 | 14.61 | 14.49 |
0.1020 | 18.83 | 15.77 | 14.21 | 14.13 | 14.05 | 13.97 | 13.89 |
0.2001 | 17.03 | 11.42 | 13.68 | 13.62 | 13.57 | 13.51 | 13.45 |
0.3004 | 14.22 | 3.35 | 13.24 | 13.22 | 13.20 | 13.19 | 13.17 |
0.4030 | 11.85 | −3.40 | 12.85 | 12.87 | 12.88 | 12.90 | 12.92 |
0.5051 | 10.53 | −7.08 | 12.61 | 12.64 | 12.68 | 12.71 | 12.75 |
0.6029 | 9.51 | −9.99 | 12.44 | 12.49 | 12.54 | 12.59 | 12.64 |
0.7052 | 8.47 | −13.17 | 12.33 | 12.40 | 12.46 | 12.53 | 12.59 |
0.7998 | 7.87 | −15.13 | 12.30 | 12.38 | 12.46 | 12.53 | 12.61 |
0.9005 | 7.97 | −14.90 | 12.34 | 12.41 | 12.49 | 12.56 | 12.64 |
1.0000 | 7.69 | −15.87 | 12.35 | 12.43 | 12.50 | 12.58 | 12.66 |
toluene (1) + 2-methyl-1-propanol (2) | |||||||
0.0000 | 21.41 | 16.33 | 16.62 | 16.54 | 16.46 | 16.37 | 16.29 |
0.1000 | 18.95 | 10.87 | 15.77 | 15.71 | 15.66 | 15.60 | 15.55 |
0.1969 | 17.76 | 8.81 | 15.18 | 15.13 | 15.09 | 15.05 | 15.00 |
0.3008 | 15.93 | 4.67 | 14.56 | 14.54 | 14.51 | 14.49 | 14.47 |
0.3922 | 14.33 | 0.86 | 14.07 | 14.07 | 14.06 | 14.06 | 14.06 |
0.4947 | 13.58 | −0.20 | 13.64 | 13.64 | 13.64 | 13.64 | 13.64 |
0.5952 | 12.30 | −3.47 | 13.31 | 13.33 | 13.35 | 13.37 | 13.38 |
0.6936 | 10.22 | −9.61 | 13.04 | 13.09 | 13.13 | 13.18 | 13.23 |
0.7941 | 9.18 | −12.26 | 12.77 | 12.83 | 12.90 | 12.96 | 13.02 |
0.8965 | 7.09 | −18.63 | 12.55 | 12.65 | 12.74 | 12.83 | 12.93 |
1.0000 | 7.69 | −15.87 | 12.35 | 12.43 | 12.50 | 12.58 | 12.66 |
Component | 104·α/K−1 | kT/104·MPa−1 | V*/cm3 mol−1 | 106·p*/Jcm−3 | T*/K | ||
---|---|---|---|---|---|---|---|
293.15 K | |||||||
toluene | 9.84 | 8.715 [59] | 1.24 | 85.68 | 509.76 | 5238.74 | 0.056 |
2-propanol | 10.75 | 10.81 [60] | 1.26 | 60.72 | 462.29 | 4990.87 | 0.059 |
2-methyl- 1-propanol | 11.38 | 9.828 [11] | 1.27 | 72.74 | 548.86 | 4843.24 | 0.060 |
298.15 K | |||||||
toluene | 9.92 | 9.023 [59] | 1.25 | 85.76 | 508.95 | 5254.95 | 0.057 |
2-propanol | 10.99 | 11.3 [61] | 1.27 | 60.59 | 465.97 | 4972.21 | 0.060 |
2-methyl- 1-propanol | 11.48 | 10.26 [62] | 1.28 | 72.77 | 544.26 | 4861.14 | 0.061 |
303.15 K | |||||||
toluene | 10.00 | 9.349 [59] | 1.25 | 85.84 | 507.57 | 5270.52 | 0.057 |
2-propanol | 11.24 | 11.8 [63] | 1.28 | 60.57 | 470.36 | 4954.06 | 0.061 |
2-methyl- 1-propanol | 11.59 | 10.649 [11] | 1.28 | 72.93 | 543.26 | 4877.43 | 0.062 |
308.15 K | |||||||
toluene | 10.08 | 9.694 [59] | 1.26 | 85.92 | 505.65 | 5287.15 | 0.058 |
2-propanol | 11.49 | 12.32 [51] | 1.29 | 60.51 | 474.50 | 4938.74 | 0.062 |
2-methyl- 1-propanol | 11.69 | 11.086 [62] | 1.29 | 72.99 | 539.80 | 4896.38 | 0.063 |
313.15 K | |||||||
toluene | 10.17 | 10.06 [59] | 1.26 | 86.00 | 503.80 | 5301.47 | 0.059 |
2-propanol | 11.74 | 15.117 [11] | 1.29 | 60.42 | 406.97 | 4926.06 | 0.064 |
2-methyl-1-propanol | 11.79 | 11.541 [11] | 1.29 | 73.10 | 536.17 | 4915.81 | 0.064 |
T/K | φ2 | θ2 | χ12·106/Jcm−3 | ψ1 | ||
---|---|---|---|---|---|---|
toluene (1) + 2-propanol (2) | ||||||
293.15 | 0.415 | 0.334 | 1.26 | 0.059 | 69.82 | 0.6088 |
298.15 | 0.414 | 0.333 | 1.26 | 0.060 | 67.24 | 0.6072 |
303.15 | 0.414 | 0.332 | 1.27 | 0.060 | 62.70 | 0.6046 |
308.15 | 0.413 | 0.331 | 1.28 | 0.061 | 60.44 | 0.6021 |
313.15 | 0.413 | 0.330 | 1.28 | 0.062 | 59.02 | 0.6379 |
toluene (1) + 2-methyl-1-propanol (2) | ||||||
293.15 | 0.459 | 0.419 | 1.26 | 0.059 | 39.29 | 0.5225 |
298.15 | 0.459 | 0.419 | 1.27 | 0.060 | 37.25 | 0.5243 |
303.15 | 0.459 | 0.419 | 1.27 | 0.061 | 35.16 | 0.5237 |
308.15 | 0.459 | 0.419 | 1.28 | 0.061 | 32.97 | 0.5244 |
313.15 | 0.459 | 0.419 | 1.28 | 0.062 | 31.18 | 0.5250 |
T/K | VEexp./ cm3 mol−1 | VEPFP/ cm3 mol−1 | VEint./ cm3 mol−1 | VEFV/ cm3 mol−1 | VEp*/ cm3 mol−1 | ADD% |
---|---|---|---|---|---|---|
toluene (1) + 2-propanol (2) | ||||||
293.15 | 0.755 | 0.768 | 0.808 | 0.009 | −0.031 | 1.7 |
298.15 | 0.742 | 0.755 | 0.801 | 0.012 | −0.034 | 1.7 |
303.15 | 0.707 | 0.719 | 0.769 | 0.016 | −0.034 | 1.7 |
308.15 | 0.700 | 0.712 | 0.765 | 0.021 | −0.032 | 1.7 |
313.15 | 0.660 | 0.673 | 0.818 | 0.026 | −0.119 | 1.9 |
toluene (1) + 2-methyl-1-propanol (2) | ||||||
293.15 | 0.550 | 0.555 | 0.538 | 0.028 | 0.045 | 0.9 |
298.15 | 0.535 | 0.540 | 0.528 | 0.029 | 0.041 | 0.9 |
303.15 | 0.522 | 0.527 | 0.514 | 0.030 | 0.043 | 0.9 |
308.15 | 0.505 | 0.509 | 0.499 | 0.031 | 0.042 | 0.8 |
313.15 | 0.492 | 0.497 | 0.488 | 0.032 | 0.041 | 1.0 |
Chemical Name | Molecular Formula | Source | CAS | Mass Fraction Purity | Water Content | Purification |
---|---|---|---|---|---|---|
Toluene | C7H8 | Lach:ner | 108-88-3 | ≥99.92% | ≤0.08% | None |
2-propanol | C3H8O | Merck | 67-63-0 | ≥99.7% | ≤0.3% | None |
2-methyl-1-propanol | C4H10O | Chemical Company | 78-83-1 | ≥99.7% | ≤0.3% | None |
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Share and Cite
Naum, M.M.; Dumitrescu, V. Excess Thermodynamic Properties and FTIR Studies of Binary Mixtures of Toluene with 2-Propanol or 2-Methyl-1-Propanol. Molecules 2024, 29, 4706. https://doi.org/10.3390/molecules29194706
Naum MM, Dumitrescu V. Excess Thermodynamic Properties and FTIR Studies of Binary Mixtures of Toluene with 2-Propanol or 2-Methyl-1-Propanol. Molecules. 2024; 29(19):4706. https://doi.org/10.3390/molecules29194706
Chicago/Turabian StyleNaum, Maria Magdalena, and Vasile Dumitrescu. 2024. "Excess Thermodynamic Properties and FTIR Studies of Binary Mixtures of Toluene with 2-Propanol or 2-Methyl-1-Propanol" Molecules 29, no. 19: 4706. https://doi.org/10.3390/molecules29194706