R. Pennington, D. W. Scott, H. Finke
Jul 20, 1956
Citations
0
Influential Citations
28
Citations
Journal
Journal of the American Chemical Society
Abstract
Experimental and computational studies were made of the thermodynamic properties of 1-propanethiol in the temperature range 0 to 1000/sup 0/K. The experimental studies provided the following information: values of heat capacity for the solid, the liquid (C/sub satd/ = 45.862 - 0.15070 T + 5.0219 x 10/sup -4/ T/sup 2/ - 4.167 x 10/sup -7/ T/sup 3/, cal. deg./sup -1/mole/sup -/; (180 to 320/sup 0/K)), and the vapor (C/sup 0//sub p/ = 3.733 + 7.123 x 10/sup -2/ T - 2.721 x 10/sup -5/ T/sup 2/, cal.deg./sup -1/mole/sup -1/ (331 to 500/sup 0/K)); the heat of transition (949.1 cal.mole/sup -1/) at 142.10/sup 0/K; the heat of fusion (1309 cal.mole/sup -1/) at the triple point (160.00 +- 0.05/sup 0/K); the entropy in the saturated liquid state at 298.16/sup 0/K (57.96 cal.deg./sup -1/mole/sup -1/); the heat of vaporization (..delta..H/sub v/ = 9855 - 2.551T - 1.658 x 10/sup -2/ T/sup 2/ cal.mole/sup -1/ (303 to 341/sup 0/K)); the second virial coefficient, B, in the equation of state, PV = RT(1 + B/V), (B = -32 - 94.7 exp (800/T), cc.mole/sup -1/ (303 to 500/sup 0/K)); the standard heat of formation of liquid 1-propanethiol from graphite, hydrogen and rhombic sulfur at 298.16/sup 0/Kmore » (-23.69 +- 0.16 kcal.mole/sup -1/); and the vapor pressure (log/sub 10/ p(mm) = 6.92846 - 1183.307/(t + 224.624), 24 to 102/sup 0/)). Tables of the thermodynamic properties in the solid and liquid states (10 to 320/sup 0/K) were computed. Experimentally determined properties of the vapor (S/sup 0/ and C/sup 0//sub p/) were used with spectroscopic and molecular structure information to evaluate barriers to internal rotation and the energy difference between the rotational tautomers of 1-propantethiol (the trans skeletal configuration is more stable by about 400 calmole/sup -1/). Tables of the chemical thermodynamic properties in the ideal gaseous state at selected temperatures from 0 to 1000/sup 0/K were computed.« less