Table 1
Collection of physical properties of the solvents and cost indications.
| Solvent | n-Hexane | 2-Me-Pentane | cyclo-Hexane | Methanol | Ethanol | Propan-2ol | Acetone | MEK | Ethyl acetate | DCM | 2-MeOx |
|---|---|---|---|---|---|---|---|---|---|---|---|
| CAS RN | 110-54-3 | 107-83-5 | 110-82-74 | 67-56-1 | 64-17-5 | 67-63-0 | 67-64-1 | 78-93-3 | 141-78-6 | 75-09-2 | 96-47-9 |
| Formula | C6H14 | C6H14 isomer | C6H12 | CH3OH | C2H5OH | C3H7OH | C3H6O | CH3COCH3 | CH3COOC2H5 | CH2Cl2 | C5H10O |
| Molecular mass (g/Mol) | 86.17 | 86.17 | 84.16 | 32.04 | 46.07 | 60.1 | 58.08 | 72.11 | 88.12 | 84.93 | 86.1 |
| Boiling point ( °C) | 68.7 | 60.0 | 80.7 | 64.5 | 78.0 | 82.4 | 56.1 | 79.6 | 77.0 | 40.0 | 80.0 |
| Melting point ( °C) | -94.3 | -153.6 | 6.5 | -97.8 | -114 | -88.5 | -94.6 | -86.3 | -83 | -95 | -136 |
| Density of liquid (kg/L, 20 °C)) | 0.660 | 0.650 | 0.770 | 0.791 | 0.789 | 0.785 | 0.783 | 0.805 | 0.902 | 1.328 | 0.855 |
| Vapours density (20 °C) (air = 1; MW/29) | 2.98 | ∼3 | 2.78 | 1.11 | 1.59 | 2.07 | 2.00 | 2.49 | 3.03 | 1.38 | 2.97 |
| Density of solvent saturated air (20 °C) | 1.38 | 1.44 | 1.22 | 1.01 | 1.03 | 1.05 | 1.24 | 1.15 | 1.21 | 1.88 | 1.26 |
| Vapour pressure at 20 °C (atm) | 0.193 | 0.227 | 0.115 | 0.123 | 0.059 | 0.044 | 0.247 | 0.105 | 0.103 | 0.465 | 0.134 |
| Autoignition temperature ( °C) | 230 | 264 | 260 | 368.8 | 363 | 399 | 465 | 404 | 426 | 605 | 270 |
| Flash point ( °C open cup) | -22 (c.fer.) | -29 (-7) | -20 | 16 | 13 | 12 | -9.4 | -5.6 | -4.4 | NS | -10.0 |
| Lower / higher limit of explosivity (% of air volume) | 1.1/7.5 | ? | 1.3/8.4 | 6.7/36.5 | 3.3/19 | 2.0/12.0 | 2.15/13 | 1.8/10.0 | 2.0/11.5 | 13/22 | 1.5/8.9 |
| Latent heat of vaporization −kJ/kg | 333 | 323 | 360 | 1977 | 852 | 666 | 520 | 443 | 430.1 | 329 | 364 |
| Specific heat (J/ °C/g) à 20 °C (liquid) | 2.14 | 2.20 | 1.85 | 2.53 | 2.44 | 2.68 | 2.16 | 2.09 | 2.38 | 1.17 | 1.8 |
| LogPo/w | 3.9 | 3.42-5.8 | 3.44 | -0.77 | -0.24 | 0.16 | -0.24 | 0.29 | 0.71 | 1.25 1.34 | 1.85 |
| Miscibility in water (g/L 20 °C) | 0.009-0.013 | <0.0225 | 0.052 | complete | complete | complete | complete | 250 | 83 | 17.6 | 140 |
| Water solubility (g/L 20 °C) | 0.3 | 0.014 | ? | complete | complete | complete | complete | 120 | ∼30 | 1.3 | 44 |
| Solvent azeotrope / water (%water) | 5% | ? | 9% | no | 4% | 12.3% | no | 14% | 8.50% | 1.5% | 11% |
| Boiling Temperature of Azeotrope | 61 | ? | 69.8 | – | 78.2 | 80.4 | – | 76.1 | 70.4 | 38.1 | 71 |
| Viscosity at 20 °C (mPa/s) | 0.326 | 0.300 | 0.952 | 0.543 | 1.2 | 2.4 | 0.32 | 0.42 | 1.00 | 0.413 | 0.57 |
| Dielectric constant | 1.89 | 1.89 | 2.00 | 37.2 | 24.5 | 18.0 | 21.4 | 18.5 | 6.15 | 9.08 | 6.97 |
| Dipole moment | 0.08D | 0.1 D | 0 D | 2.87D | 1.66D | 1.66D | 2.69D | 2.78D | 1.78D | 1.14D | 1.38D |
| Polar | No | No | No | Yes | Yes | Yes | Yes | Yes | No | Yes | Moderately |
| Protic | No | No | No | Yes | Yes | Yes | No | No | No | No | No |
| Donor | No | No | No | Yes | Yes | Weakly | Yes | No | Yes | No | Yes |
| Odour threshold ppm | 130 | 380 | 0.52-754 | 160 | 10 | 11-200 | 3.6-653 | 0.25-10 | 3.6-245 | 205-307 | <1 ppm |
| Chem Analyst US$/MT Bulk Q2/24 | 1090 | Not found | 1640 | 662 | 741 | 1499 | 1250 | 1536 | 1281 | 695 | 7500-10000 |
| Place of quotation | Hamburg | Nurenberg | Louisiana | Hamburg | Hamburg | Karlsruhe | Rotterdan | Karlsruhe | Hamburg | Rapinel(2020) | |
| Cost for 1000 l (€/m3) (€/$=1.09) | 613 | 1159 | 480 | 536 | 1080 | 898 | 1134 | 1060 | 847 | 5400-7500 |
Sources: most of the data: Smallwood (2012); 2-MeOx properties, Rapinel 2020; odour thresholds, NCBI (2024); HSP, Hansen (2000); costs, ChemAnalyst (2024).
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