Second Challenge Benchmark Data

Problem 1

 

1-1. Recommendations for Acetone Vapor Pressure and Heat of Vaporization

 

E.W. Lemmon and D.G. Friend

 

Problem Conditions and Recommended Values:

 

 

Temperature (K)	Vapor Pressure (kPa)	Heat of Vaporization (kJ/mol)
330 K	104.04 ± 0.3	29.07 ± 0.15
375 K	390.3 ± 1.0	25.92 ± 0.13
425 K	1184. ± 6	21.4 ± 0.4
460 K	2225. ± 11	17.1 ± 0.4

 

 

 

 

1-2. Recommendations for Butyramide [541-35-5] Vapor Pressure and Heat of Vaporization

 

J. D. Olson and R. E. Morrison

 

Problem Conditions and Recommended Values:

 

   

Temperature (K)	Vapor Pressure (kPa)	Heat of Vaporization (kJ/mol)
415 K	4.65 ± 0.05	63.0 ± 1.6
455 K	22.3 ± 0.2	59.3 ± 1.2
490 K	67.7 ± 0.7	56.2 ± 1.2
520 K	151.6 ± 3	53.4 ± 2.0

 

 

Problem 2

 

2. Recommendations for Henry’s Law Constants of Nitrogen, Oxygen, Methane, and Carbon Dioxide in Ethanol [CAS #64-17-5]

 

J. D. Olson and L. C. Wilson

 

Henry’s Law Constant (MPa/mole fraction)

 

	323 K	373 K
Nitrogen	253.6 ± 7.6	221.3 ± 13.3
Oxygen	174.8 ± 8.7	159.9 ± 12.8
Methane	81.5 ± 2.4	83.4 ± 5.0
Carbon Dioxide	21.1 ± 1.1	29.7 ± 3.3

 

 

 

 

Problem 3

 

3. Recommendations for the heat of mixing of 

1) n-butylamine [CAS #109-73-9] and n-heptane [CAS #142-82-5] 

2) n-butylamine [CAS #109-73-9] and water [CAS #7732-18-5]

 

D. J. Frurip and J. D. Olson

 

The heat of mixing of n-butylamine and n-heptane.

 

mole fraction butylamine	298 K	348 K
0.2	0.716 ± 0.046 kJ/mol	0.631 ± 0.071 kJ/mol
0.4	1.11 ± 0.06 kJ/mol	0.964 ± 0.099 kJ/mol
0.6	1.08 ± 0.06 kJ/mol	0.981 ± 0.100 kJ/mol
0.8	0.657 ± 0.045 kJ/mol	0.666 ± 0.071 kJ/mol

 

 

 

 

The heat of mixing of n-butylamine and water. 

 

 

mole fraction butylamine	298 K	348 K
0.2	-2.21 ± 0.12 kJ/mol	-2.18 ± 0.23 kJ/mol
0.4	-3.21 ± 0.12 kJ/mol	-3.12 ± 0.27 kJ/mol
0.6	-3.10 ± 0.12 kJ/mol	-2.97 ± 0.26 kJ/mol
0.8	-2.00 ± 0.11 kJ/mol	-1.88 ± 0.21 kJ/mol