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. 2017 Feb 10;51(5):2890–2898. doi: 10.1021/acs.est.6b05662

Table 1. Log DMW Values for All Compounds Tested with the SSLM Assay,a As Well As Uncorrected IAM-HPLC log KIAM,intr Measurements and COSMOmic Predicted log KDMPC-W Values (No Offset Correction).

alkyl chain method primary amine (P) secondary amines (S) tertiary amines (T) trimethyl ammonium (Q) benzalkonium cations (BAC) pyridinium cations (PYR) secondary dialkyl-amines (S2) quaternary dialkyl-ammonium (Q2)
C6 SSLM         2.12   3.15  
IAM 1.32       2.42   2.88  
COSMO 2.63 1.92 1.45 1.08 1.87   2.77  
C8 SSLM 3.10 2.76 2.35 2.18 3.11   4.65  
IAM 2.30 2.33 2.35 2.18 3.30   5.04  
COSMO 3.71 3.01 2.53 2.18 2.96   4.34  
C10 SSLM 4.30 3.98 3.65 3.34 4.01      
IAM 3.55 3.59 3.59 3.44 4.47      
COSMO 4.83 4.14 3.70 3.30 4.05   6.26 7.53
C12 SSLM 5.58 5.39 5.30 4.35   4.89    
IAM   4.81   4.57        
COSMO 6.01 5.28 4.76 4.47 5.14 4.77 8.40 9.79
C14 SSLM       5.46        
COSMO 7.15 6.42 5.89 5.61 6.65 5.90   12.06
C16 COSMO 8.31 7.56 7.07 6.72 7.90 7.03   C16/C18
C18 COSMO 9.43 8.74 8.29 7.94 9.01     15.51
C22 COSMO       10.1        
a

nr of data used, standard errors, and 95% confidence intervals are presented in SI Table S3. δIAM-SSLM corrected KMW(IAM) values are presented in SI Table S3.