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. 2022 Jul 25;7(30):26670–26679. doi: 10.1021/acsomega.2c02828

Table 2. Correlation Equations of Properties for n-Paraffins H–(CH2)n–H (Model Equation: ln(P(n)) = a + b(n – 1) + cSCNE).

no. propertya range of nb ref a b c R S Nc F
1 Tb 2–100 (17) 4.6973 –0.004569 0.51040 0.9999 0.0057 34 73 691.18
2 Tc 2–20 (20) 5.2972 –0.008981 0.42758 0.9999 0.0030 19 65 747.43
3 Pc 2–20 (20) 1.9097 –0.050147 –0.24698 0.9992 0.0191 19 5084.85
4 Cp 4–16 (21) 3.6382 0.025666 0.66368 0.9997 0.0099 11 7888.46
5 λ 5–16 (22) –2.7579 –0.014647 0.30762 0.9944 0.0101 7 177.44
6 ST 5–16 (22) 1.1369 –0.048077 0.86717 0.9990 0.0108 7 978.56
7 μ 5–35 (18) –5.6286 0.043485 1.79992 0.9996 0.0448 28 14 301.74
8 nD 4–20 (21) 0.15997 –0.003447 0.076226 0.9987 0.0012 16 2534.24
9 Pv 2–16 (21) 7.4528 –0.461790 –0.36834 1.0000 0.0103 15 347 794.19
10 ω 2–20 (23) –3.2314 –0.005694 0.90514 0.9997 0.0158 19 13 904.65
11 Ip 2–11 (19) 2.5643 0.004981 –0.12156 0.9996 0.0020 10 4094.40
12 D 5–16 (19) –1.0445 –0.016174 0.30966 0.9994 0.0025 12 3850.05
13 TF 3–16 (24) and (25) 4.4783 0.000031 0.45456 0.9970 0.0213 14 915.62
14 Pw 2–8 (26) 1.1261 0.536478 0.12495 0.9990 0.0716 6 736.35
a

Tb, boiling point (K); Tc, critical temperature (K); Pc, critical pressure (MPa); Cp, heat capacity (J·mol–1·K–1); λ, thermal conductivity (W·m–1 K–1); ST, surface tension (mN·m–1); μ, liquid viscosity [μm Pa·s(300 K)]; nD, refractive Index; Pv, vapor pressure (regression in the form of log Pv); ω, acentric factor; Ip, ionization potential (eV); D, liquid density (g·cm3); TF, flash point (K); and Pw, partition coefficient (regression in the form of log Pw). These properties data are listed in the Supporting Information.

b

Carbon atom number range.

c

Number of data points.