Data 1: 18 Octane Isomers (C8)
The data set is constituted by 18 octane isomers (C8).
The following properties are given in Excel (C8_Properties.xls) and tab-delimited text formats (C8_Properties.txt).
1) boling point (BP)
2) melting point (MP)
3) heat capacity at T constant (CT)
4) heat capacity at P constant (CP)
5) Entropy (S)
6) density (DENS)
7) enthalpy of vaporization (HVAP)
8) standard enthalpy of vaporization (DHVAP)
9) enthalpy of formation (HFORM)
10) standard enthalpy of formation (DHFORM)
11) motor octane number (MON)
12) molar refraction (MR)
13) acentric factor (AcenFac)
14) total surface area (TSA)
15) octanol-water partition coefficient (LogP)
16) molar volume (MV)
