Journal of Analytical Methods in Chemistry

Research Article

New Automated and High-Throughput Quantitative Analysis of Urinary Ketones by Multifiber Exchange-Solid Phase Microextraction Coupled to Fast Gas Chromatography/Negative Chemical-Electron Ionization/Mass Spectrometry

Table 1

Physical chemical properties [17–22] of organic ketones and related partition coefficient. ( 𝑇 = 298  𝐾 , R = 8.20575 * 10-5 m3 atm mol-1 K-1).
BOHB-methylesterAce-PFBHA-oximeMEK-PFBHA-oximeMIBK-PFBHA-oximeAcAc-methylester-PFBHA-oximeCHone-PFBHA-oxime2,5 HD bis-PFBHA-oximeAcAcBOHB
Boiling Point (Β°C)190306329374405369663n.d.n.d.
Melting Point (Β°C)401071181261751773873646
Density (g/mL)1.311.591.541.451.651.501.67n.d.n.d.
Water Solubility (mol/L)0.146.3 10-182.9 10-189.5 10-194.1 10-192.6 10-191.3 10-359.39.6
𝑃 v a p (mm Hg)1127.260.210.0390.0050.0428.3 10-60.2189.7 10-3
Ξ” 𝐻 𝑣 a (kal/mol)12449176501874620950225152070136754n.d.n.d.
𝐾 o w 1419956309501181258125892690.1040.338
𝐾 H (25Β°C) atm m3/mol 5.5 10-48.8 10-42.1 10-32.6 10-39.7 10-54.6 10-65.3 10-83.7 10-103.5 10-11
𝐷 b w a t e r (25Β°C) cm2/sec8.1 10-65.5 10-65.8 10-65.6 10-65.4 10-65.3 10-64.1 10-6n.d.n.d.
𝐷 c a i r (25Β°C) cm2/sec7.4 10-25.2 10-25.4 10-25.3 10-25.1 10-25.0 10-24.0 10-2n.d.n.d.
Y P D M S ( M W 1 5 0 0 0 ) (25Β°C)0.02280.01880.02590.02930.26000.02370.5046n.d.n.d.
Y P D M S ( M W 3 0 0 0 0 ) (25Β°C)0.08420.009550.01310.01490.13220.01200.2584n.d.n.d.
Y P D M S ( M W 3 6 9 0 0 ) (25Β°C)0.00920.007690.01060.01200.10650.00960.2085n.d.n.d.
Y P D M S ( M W 1 5 0 0 0 ) (50Β°C)0.02040.013540.01860.02150.14520.01810.2323n.d.n.d.
Y P D M S ( M W 3 0 0 0 0 ) (50Β°C)0.01020.006860.00940.00910.07380.00910.1189n.d.n.d.
Y P D M S ( M W 3 6 9 0 0 ) (50Β°C)0.00820.005520.00760.00880.05870.00740.0960n.d.n.d.
𝐾 1 (= 𝐾 o w / 𝐾 2 )6363.3 1047.1 1044.2 1054.2 1054.11 1061.3 108n.d.n.d.
𝐾 1 (from (4))5851.8 1042.7 1041.1 1051.3 1054.42 1061.9 108n.d.n.d.
𝐾 1 (from (5))4832.9 1045.1 1042.9 1053.3 1055.1 1061.7 108n.d.n.d.
𝑇 e (min) DI-SPME7252530353065120120
a E s t i m a t e d diffusion coefficient in water (1 atm, 298 K) by Hayduk and Laudie method. b E s t i m a t e d diffusion coefficient in air (1 atm, 298 K) by Fuller Schettler and Giddings method. c C a l c u l a t e d vaporization enthalpies (298 K) by Hildebrand equation ( Ξ” 𝐻 𝑣 = βˆ’ 2 9 5 0 + 2 3 . 7 Teb + 0.020 𝑇 e b 2).