N

OPTIONS: joules

TEMPERATURE SCHEDULE

200.000 298.150 300.000 400.000 500.000 600.000

700.000 800.000 900.000 1000.000 1100.000 1200.000
1300.000 1400.000 1500.000 1600.000 1700.000 1800.000
1900.000 2000.000 2100.000 2200.000 2300.000 2400.000
2500.000 2600.000 2700.000 2800.000 2900.000 3000.000
3100.000 3200.000 3300.000 3400.000 3500.000 3600.000
3700.000 3800.000 3900.000 4000.000 4100.000 4200.000
4300.000 4400.000 4500.000 4600.000 4700.000 4800.000
4900.000 5000.000

NOTE: Thermodynamic properties calculated for temperatures outside the range of

the fitted data may have large errors. This program allows calculations only
for temperatures within 20% above or below the fitted temperature range.

COEFFICIENTS FOR FITTED THERMODYNAMIC FUNCTIONS

N Hf:Cox,1989. Moore,1975. Gordon,1999.

3 g 5/97 N 1.00 0.00 0.00 0.00 0.00 0 14.00670 472680.000
200.000 1000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
0.000000000E+00 0.000000000E+00 2.500000000E+00 0.000000000E+00 0.000000000E+00
0.000000000E+00 0.000000000E+00 0.000000000E+00 5.610463780E+04 4.193905036E+00
1000.000 6000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
8.876501380E+04-1.071231500E+02 2.362188287E+00 2.916720081E-04-1.729515100E-07
4.012657880E-11-2.677227571E-15 0.000000000E+00 5.697351330E+04 4.865231506E+00
6000.000 20000.000 7 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 0.0 6197.428
5.475181050E+08-3.107574980E+05 6.916782740E+01-6.847988130E-03 3.827572400E-07
-1.098367709E-11 1.277986024E-16 0.000000000E+00 2.550585618E+06-5.848769753E+02
THERMODYNAMIC FUNCTIONS CALCULATED FROM COEFFICIENTS FOR N

T Cp H-H298 S -(G-H298)/T H delta Hf log K

deg-K J/mol-K kJ/mol J/mol-K J/mol-K kJ/mol kJ/mol

0 0. -6.197 0. INFINITE 466.483 470.818 INFINITE

200 20.786 -2.040 145.003 155.203 470.640 472.068 -120.4152
298.15 20.786 0.000 153.302 153.302 472.680 472.680 -79.8062
300 20.786 0.038 153.431 153.302 472.718 472.692 -79.2955
400 20.786 2.117 159.410 154.118 474.797 473.312 -58.7081
500 20.786 4.196 164.049 155.657 476.876 473.920 -46.3394

600 20.786 6.274 167.839 157.381 478.954 474.507 -38.0831

700 20.786 8.353 171.043 159.110 481.033 475.065 -32.1786
800 20.786 10.432 173.818 160.779 483.112 475.589 -27.7451
900 20.786 12.510 176.267 162.366 485.190 476.079 -24.2931
1000 20.786 14.589 178.457 163.868 487.269 476.538 -21.5288

1100 20.780 16.667 180.438 165.286 489.347 476.967 -19.2650

1200 20.780 18.745 182.246 166.625 491.425 477.371 -17.3768
1300 20.784 20.823 183.909 167.891 493.503 477.752 -15.7778
1400 20.787 22.902 185.449 169.091 495.582 478.114 -14.4062
1500 20.790 24.981 186.884 170.230 497.661 478.458 -13.2165

1600 20.792 27.060 188.226 171.313 499.740 478.788 -12.1749

1700 20.792 29.139 189.486 172.345 501.819 479.105 -11.2551
1800 20.792 31.218 190.674 173.331 503.898 479.409 -10.4371
1900 20.791 33.297 191.799 174.274 505.977 479.703 -9.7046
2000 20.791 35.376 192.865 175.177 508.056 479.988 -9.0451

2100 20.792 37.455 193.879 176.043 510.135 480.265 -8.4480

2200 20.794 39.535 194.847 176.876 512.215 480.534 -7.9048
2300 20.800 41.614 195.771 177.678 514.294 480.797 -7.4086
2400 20.808 43.695 196.657 178.450 516.375 481.055 -6.9536
2500 20.821 45.776 197.506 179.196 518.456 481.308 -6.5347
2600 20.838 47.859 198.323 179.916 520.539 481.558 -6.1478
2700 20.860 49.944 199.110 180.612 522.624 481.805 -5.7894
2800 20.889 52.031 199.869 181.286 524.711 482.051 -5.4564
2900 20.923 54.122 200.603 181.940 526.802 482.295 -5.1463
3000 20.964 56.216 201.313 182.574 528.896 482.540 -4.8566

3100 21.012 58.315 202.001 183.190 530.995 482.785 -4.5855

3200 21.068 60.419 202.669 183.788 533.099 483.033 -4.3313
3300 21.131 62.529 203.318 184.370 535.209 483.284 -4.0923
3400 21.203 64.645 203.950 184.937 537.325 483.538 -3.8672
3500 21.283 66.770 204.566 185.489 539.450 483.798 -3.6549

3600 21.371 68.902 205.166 186.027 541.582 484.063 -3.4543

3700 21.468 71.044 205.753 186.552 543.724 484.335 -3.2644
3800 21.573 73.196 206.327 187.065 545.876 484.615 -3.0845
3900 21.688 75.359 206.889 187.566 548.039 484.904 -2.9136
4000 21.810 77.534 207.440 188.056 550.214 485.203 -2.7512

4100 21.941 79.721 207.980 188.536 552.401 485.512 -2.5966

4200 22.081 81.922 208.510 189.005 554.602 485.832 -2.4493
4300 22.228 84.138 209.031 189.465 556.818 486.165 -2.3087
4400 22.384 86.368 209.544 189.915 559.048 486.512 -2.1745
4500 22.547 88.615 210.049 190.357 561.295 486.872 -2.0461

4600 22.717 90.878 210.546 190.790 563.558 487.247 -1.9232

4700 22.893 93.158 211.037 191.216 565.838 487.637 -1.8054
4800 23.076 95.457 211.521 191.634 568.137 488.044 -1.6925
4900 23.265 97.774 211.999 192.045 570.454 488.467 -1.5840
5000 23.459 100.110 212.471 192.449 572.790 488.908 -1.4799