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Second Challenge Benchmark Data

Submitted by site admin on Wed, 2010-02-17 21:29.

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