Acetic acid MKS 0406202248 Generated by MKSTest:Version 0.0, Core 317 - Molecular Knowledge Systems 4 3 0 0 0 0 999 V2000 3.8400 -2.1120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 -1.4080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 -2.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5600 -2.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 M END > 16.340 > 117.900 $$$$ Cyclohexanol MKS 0406202248 Generated by MKSTest:Version 0.0, Core 317 - Molecular Knowledge Systems 7 7 0 0 0 0 999 V2000 3.8400 -1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4800 -2.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4800 -2.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8400 -3.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 -2.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 -2.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8400 -1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 M END > 23.450 > 160.850 $$$$ Ethanol MKS 0406202248 Generated by MKSTest:Version 0.0, Core 317 - Molecular Knowledge Systems 3 2 0 0 0 0 999 V2000 4.1600 -2.1120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -2.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8800 -2.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 M END > -114.100 > 78.290 $$$$ Ethyl acetate MKS 0406202248 Generated by MKSTest:Version 0.0, Core 317 - Molecular Knowledge Systems 6 5 0 0 0 0 999 V2000 2.2400 -2.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8800 -2.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1600 -2.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 -2.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -2.1120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8800 -1.4080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 5 1 0 0 0 0 5 3 1 0 0 0 0 3 4 1 0 0 0 0 6 2 2 0 0 0 0 M END > -83.550 > 77.150 $$$$ n-Hexane MKS 0406202248 Generated by MKSTest:Version 0.0, Core 317 - Molecular Knowledge Systems 6 5 0 0 0 0 999 V2000 2.2400 -1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8800 -1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1600 -1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 -1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4400 -1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 M END > -95.360 > 68.700 $$$$ Toluene MKS 0406202248 Generated by MKSTest:Version 0.0, Core 317 - Molecular Knowledge Systems 7 7 0 0 0 0 999 V2000 2.2400 -2.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2400 -2.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8800 -3.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -2.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -2.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8800 -1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1600 -1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 4 0 0 0 0 2 1 4 0 0 0 0 3 2 4 0 0 0 0 4 3 4 0 0 0 0 5 4 4 0 0 0 0 6 5 4 0 0 0 0 5 7 1 0 0 0 0 M END > -94.970 > 110.630 $$$$ Vinyl chloride MKS 0406202248 Generated by MKSTest:Version 0.0, Core 317 - Molecular Knowledge Systems 3 2 0 0 0 0 999 V2000 3.5200 -1.7600 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8800 -1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2400 -1.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 2 2 0 0 0 0 2 1 1 0 0 0 0 M END > -153.840 > -13.370 $$$$