Modeling solubility and acid–base properties of some amino acids in aqueous NaCl and (CH3)4NCl aqueous solutions at different ionic strengths and temperatures

Bretti, Clemente; Giuffrè, Ottavia; Lando, Gabriele; Sammartano, Silvio

doi:10.1186/s40064-016-2568-8

SpringerPlus

Table 4 Recommended (R), tentative (T) or provisional (P) log \( K_{\rm i}^{\rm H} \) and \( \Delta H_{\rm i} \) values of glycine, alanine, valine, leucine, serine and pheylalanine in NaCl at different temperatures and ionic strength

From: Modeling solubility and acid–base properties of some amino acids in aqueous NaCl and (CH₃)₄NCl aqueous solutions at different ionic strengths and temperatures

	I ^a	T ^b	log \( {\text{K}}_{1}^{\text{H}} \)	FLAG	\( \Delta H_{1}^{0} \) ^c	FLAG	log \( {\text{K}}_{2}^{\text{\rm H}} \)	FLAG	\( \Delta H_{2}^{0} \) ^c	FLAG
Ala	0	298.15	9.912 ± 0.013^d	R	−44.2 ± 0.3^d	R	2.365 ± 0.015^d	R	−2.6 ± 0.3^d	R
	0.1	298.15	9.727 ± 0.010	R	−45.1 ± 0.3	R	2.374 ± 0.013	R	−2.7 ± 0.3	R
	0.5	298.15	9.712 ± 0.009	R	−46.5 ± 0.3	R	2.414 ± 0.009	R	−3.4 ± 0.3	R
	1.0	298.15	9.777 ± 0.013	R	−47.8 ± 0.5	R	2.467 ± 0.009	R	−4.3 ± 0.3	R
	3.0	298.15	10.123 ± 0.020	T	−52.7 ± 1.9	T	2.690 ± 0.014	R	−7.8 ± 1.1	T
	5.0	298.15	10.493 ± 0.023	P	−57.6 ± 3.3	P	2.916 ± 0.016	P	−11.3 ± 1.8	P
	0.15	310.15	9.402 ± 0.010	R	−45.0 ± 0.3	R	2.369 ± 0.012	R	−1.5 ± 0.3	R
Gly	0	298.15	9.777 ± 0.004	R	−44.3 ± 0.3	R	2.329 ± 0.007	R	−4.0 ± 0.3	R
	0.1	298.15	9.588 ± 0.004	R	−45.1 ± 0.3	R	2.338 ± 0.006	R	−4.1 ± 0.3	R
	0.5	298.15	9.562 ± 0.007	R	−45.8 ± 0.3	R	2.376 ± 0.007	R	−4.4 ± 0.3	R
	1.0	298.15	9.619 ± 0.010	R	−46.5 ± 0.3	R	2.424 ± 0.009	R	−4.8 ± 0.3	R
	3.0	298.15	9.946 ± 0.014	T	−48.7 ± 0.5	T	2.619 ± 0.014	T	−6.5 ± 0.3	T
	5.0	298.15	10.304 ± 0.016	P	−50.7 ± 0.5	P	2.814 ± 0.016	P	−8.2 ± 0.3	P
	0.15	310.15	9.262 ± 0.004	R	−44.9 ± 0.3	R	2.326 ± 0.006	R	−2.5 ± 0.3	R
Leu	0	298.15	9.778 ± 0.005	R	−45.3 ± 0.3	R	2.321 ± 0.008	R	−1.9 ± 0.3	R
	0.1	298.15	9.594 ± 0.004	R	−46.2 ± 0.3	R	2.329 ± 0.007	R	−1.9 ± 0.3	R
	0.5	298.15	9.589 ± 0.004	R	−47.7 ± 0.3	R	2.374 ± 0.005	R	−2.3 ± 0.3	R
	1.0	298.15	9.677 ± 0.004	R	−49.3 ± 0.3	R	2.445 ± 0.004	R	−2.7 ± 0.3	R
	3.0	298.15	10.137 ± 0.007	T	−55.0 ± 0.5	T	2.772 ± 0.006	T	−4.3 ± 0.5	T
	5.0	298.15	10.632 ± 0.008	P	−60.6 ± 0.5	P	3.117 ± 0.007	P	−5.9 ± 0.5	P
	0.15	310.15	9.261 ± 0.004	R	−46.2 ± 0.3	R	2.330 ± 0.007	R	−0.5 ± 0.3	R
Phe	0	298.15	9.258 ± 0.006	R	−44.1 ± 0.3	R	2.144 ± 0.007	R	−1.6 ± 0.3	R
	0.1	298.15	9.071 ± 0.006	R	−44.8 ± 0.3	R	2.157 ± 0.004	R	−1.9 ± 0.3	R
	0.5	298.15	9.046 ± 0.014	R	−45.7 ± 0.3	R	2.225 ± 0.014	R	−2.7 ± 0.3	R
	1.0	298.15	9.097 ± 0.022	T	−46.6 ± 0.3	R	2.325 ± 0.023	T	−3.8 ± 0.3	R
	3.0	298.15	9.381 ± 0.034	T	−49.5 ± 0.5	T	2.777 ± 0.037	P	−8.1 ± 0.5	T
	5.0	298.15	9.686 ± 0.038	P	−52.2 ± 0.5	P	3.249 ± 0.042	P	−12.5 ± 0.7	P
	0.15	310.15	8.747 ± 0.006	R	−44.7 ± 0.3	R	2.151 ± 0.005	R
Ser	0	298.15	9.255 ± 0.009	R	−42.8 ± 0.5	T	2.162 ± 0.005	R	−4.5 ± 0.5	T
	0.1	298.15	9.068 ± 0.007	R	−42.5 ± 0.4	R	2.169 ± 0.005	R	−3.7 ± 0.5	T
	0.5	298.15	9.046 ± 0.006	R	−39.4 ± 0.5	T	2.199 ± 0.009	R	−0.8 ± 1.5	P
	1.0	298.15	9.105 ± 0.007	R			2.241 ± 0.013	T
	3.0	298.15	9.431 ± 0.010	T			2.424 ± 0.020	T
	5.0	298.15	9.785 ± 0.011	P			2.613 ± 0.022	P
	0.15	310.15	8.763 ± 0.007	R	−41.8 ± 0.3	R	2.161 ± 0.005	R	−1.7 ± 0.4	R
Val	0	298.15	9.730 ± 0.008	R	−44.5 ± 0.3	R	2.286 ± 0.005	R	−0.3 ± 0.5	T
	0.1	298.15	9.549 ± 0.006	R	−45.3 ± 0.3	R	2.293 ± 0.006	R	−0.1 ± 0.6	T
	0.5	298.15	9.544 ± 0.018	R	−46.4 ± 0.3	R	2.324 ± 0.020	T
	1.0	298.15	9.615 ± 0.028	T	−47.4 ± 0.5	T	2.365 ± 0.031	T
	3.0	298.15	9.961 ± 0.045	P	−51.1 ± 0.5	T	2.537 ± 0.047	P
	5.0	298.15	10.324 ± 0.050	P	−54.6 ± 1.7	T	2.712 ± 0.052	P
	0.15	310.15	9.225 ± 0.007	R	−45.1 ± 0.3	R	2.309 ± 0.009	R	1.7 ± 0.9	P

^aIn mol kg⁻¹
^b in K
^c in kJ mol⁻¹
^d 95 % CI

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