Extended Third Millennium Ideal Gas and Condensed Phase Thermochemical Database



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Table 6

Extended Third Millennium Ideal Gas and Condensed Phase Thermochemical Database
for Combustion with Updates from Active Thermochemical Tables”

Authors: Elke Goos, Alexander Burcat and Branko Ruscic.
It is strictly forbidden to include this database information as it is or parts of it in any commercial database, software, firmware or hardware and any other type of commercial use without written permission from the authors.
Elke.Goos@dlr.de,

aer0201@techunix.technion.ac.il

ruscic@anl.gov
For quotation write

Elke Goos, Alexander Burcat and Branko Ruscic

Extended Third Millennium Ideal Gas and Condensed Phase Thermochemical Database for Combustion with Updates from Active Thermochemical Tables”

Update of

“Third Millennium Ideal Gas and Condensed Phase Thermochemical Database for Combustion with Updates from Active Thermochemical Tables

Alexander Burcat and Branko Ruscic

Report ANL 05/20 and TAE 960 Technion-IIT, Aerospace Engineering, and Argonne National Laboratory, Chemistry Division, September 2005.
This file was checked by Egil Jahnsen (Norway) for errors and compatibility to automatic devices. Last check: 16 July 2016.
; quote date.

mirrored at http://garfield.chem.elte.hu/Burcat/burcat.html; quote date.

or received from Elke Goos, date.

Table 6. Enthalpy of formation, fH298 and fH0, heat capacity and entropy at 298 K, and H298-H0 from the original calculation Last addition September 27 2016.



Compound

Mol. Wgt.

fH298 kJ/mol

fH0 kJ/mol

± kJ/mol

Cp298 J/mol/K

S298 J/mol/K

H298-H0 kJ/mol




Ag (cr) REFERENCE ELEMENT

107.86820

0.

0.




25.350

42.55

5.745



Ag

107.86820

284.9

284.448

±0.8

20.786

172.998

6.197



Ag+

107.86765

1022.1

1015.444




20.792

167.236

6.198



Ag-

107.86875

153.08

158.83




20.792

167.236

6.198



AgN3 Silver Azide (Solid)

149.88842

310.3

315.0




59.482

259.274

13.993

X

Air (standard mixture)

28.96518

-0.126

-0.125




29.104

198.824

8.649



AL(cr) REFERENCE ELEMENT

26.98154

0.

0.




24.2

28.3

4.540



AL

26.98154

330.

327.621

±4.2

21.391

164.555

6.919



AlB2 (S) Aluminum Diboride (S)

48.60354

-150.996







43.644

34.727







AlB2 g

48.60354

??834.269

830.209

±8.

44.331

253.948

11.028

#

ALBr

106.88554

14.325

21.554




35.618

239.635

9.571



ALBr2

186.78954

-140.662

-125.

±50.

53.256

312.236

13.398



ALBr3

266.69354

-410.477

-387.1

±5.1

75.372

348.026

17.943



ALCL <&>

62.43424

-51.007

-51.2

±3.

34.661

227.961

9.323



ALCL+

62.43369

861.849

855.286

±42.

33.794

232.190

9.154



ALCL2

97.88694

-240.874

-240.

±40.

51.566

290.374

12.847



ALCL3 <&>

133.33964

-584.679

-582.768

±5.

71.537

313.089

16.401



ALF <&>

45.97994

-264.060

-264.

±3.

31.937

215.162

8.892



ALF+

45.97939

692.234

686.176

±25.

31.155

220.068

8.813



ALF2

64.97834

-631.764

-630.

±30.

45.418

264.924

11.601



ALF2-

64.97889

-853.231

-845.

±20.

44.746

257.272

11.332



ALF3 <&>

83.97675

-1209.28

-1205.543

±3.1

62.199

276.674

14.044



ALH

27.98948

249.250

249.356

±20

29.371

187.863

8.668



ALH2

28.99742

276.774

279.691

±20.

35.773

213.316

10.091



ALH3 solid alpha, hexagonal

30.00536

-11.4

+0.402




40.210

30.040

5.440



ALH3

30.00536

128.896

135.728

±20.

40.057

206.579

10.411



ALO <&>

42.98094

67.319

67.411

±8

30.884

218.389

8.788



ALO+

42.98039

992.993

986.586




33.135

230.978

9.090



ALO-

42.98149

-272.972

-266.589

±11

30.335

211.945

8.745



ALOH

43.98888

-192.762

-190.

±13

43.512

222.643

10.352



HALO

43.98888

1.821

5.

±50.

40.996

219.696

9.935



ALO2

58.98034

-38.658

-38.799

±32

51.661

269.637

13.362



ALO2-

58.98089

-452.572

-443.799

±60

46.063

229.783

10.645



ALO2H (HALO2)

59.98828

-355.472

-350.

±50

51.256

254.826

11.981



AL(OH)2

60.99622

-507.661

-500.

±50

62.980

284.406

14.028



AL(OH)3

78.00356

-1016.67

-1000.




87.249

301.541

17.596



AL2 <&>

53.96308

501.302

500.243

±20

37.055

243.842

10.139



AL2O

69.96248

-148.611

-147.968

±20

51.978

253.135

12.777



AL2O+

69.96193

648.97

643.212




52.898

260.663

12.981



AL2O2

85.96188

-403.096

-401.178

±40.

68.122

288.044

15.843



AL2O2+

85.96133

557.439

554.026




68.924

289.704

14.975



AL2O3(S)

101.96128

-1675.70

-1663.616




79.033

50.920

10.016



AL2O3(G)

101.96128

-546.891

-544.39

±100.

86.990

316.662

19.598



Ar REFERENCE ELEMENT<^!>

39.948

0

0




20.786

154.847

6.197



Ar+

39.94745

1526.778

1520.6

±0.001

20.984

166.406

6.206



ArH Radical

40.95594

211.75

210.447

±8.

44.036

235.028

11.737

#

ArH+ 3L84

40.95539

1165.2

1160.7




29.105

188.478

8.676

#

B(S) REFERENCE ELEMENT

10.811

0.

0.000




11.315

5.834

1.214



B <&>

10.811

565.

559.898

±12

20.797

153.438

6.316



BBr

90.715

240.952

245.429




32.787

224.992

8.997



BBr2

170.619

97.829

111.362

±25.

48.451

294.539

12.201



BBr3

250.523

-205.3

-183.

±3.0

67.777

324.505

15.703



BCL <&>

46.2637

183.173

180.117

±20.

31.656

213.244

8.861



BCL+

46.26315

1234.28

1225.027

±42.

31.644

219.133

8.860



BCLF

65.26210

-279.184

-280.

±10

42.820

264.941

11.033



BCLF2

84.26050

-888.

-885.694

±5.

54.473

275.115

12.324



BCL2 <&>

81.7164

-60.881

-62.

±10.

45.746

271.202

11.514



BCL2+

81.71585

672.315

663.664

±20.

52.975

257.809

12.849



BCL2F

100.71480

-643.

-641.423

±5.

58.911

287.581

13.231



BCL3 <^>

117.1691

-404.5

-403.485

±1.3

62.556

289.468

13.971



BF <&>

29.80940

-106.932

-110.

±10.

29.594

200.453

8.695



BF2 <&>

48.80781

-499.427

-500.

±10.

40.055

247.133

10.612



BF2+

48.80726

322.6

315.816

±2.5

44.291

225.151

10.612




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