2 0 2009 men zha 0 journal Original Meng, Q.-F.[Qing-Fen] Zhang, J.-N.[Jing-Nan] Tan, Z.-C.[Zhi-Cheng] Dong, Y.-P.[Ya-Ping] Li, W.[Wu] Shi, Q.[Quan] J. Chem. Eng. Data 2009 2009-02-25 Heat Capacities and Thermodynamic Properties of (3,4-Dimethoxyphenyl) Acetonitrile (C10H11NO2) The heat capacities of (3,4-dimethoxyphenyl) acetonitrile were measured by a small sample precision automated adiabatic calorimeter over the temperature range from (78 to 399) K. A melting phase transition was observed in the experimental range. The melting temperature, the molar enthalpy, and entropy of the phase transition were determined to be (336.818 ( 0.005) K, (24.72 ( 0.14) kJ * mol-1, and (73.40 ( 0.40) J *K-1 * mol-1. The mole fraction purity of the sample used in the adiabatic calorimetric study was determined to be 0.99602 according to the van t Hoff equation. The thermodynamic functions, (HT - H298.15 K) and (ST - S298.15 K), were calculated. The standard molar energy and enthalpy of combustion have been determined, AcUm 0 (C10H11NO2,s) ) -(5297.97 ( 2.45) kJ * mol-1 and AcHm 0 (C10H11NO2, s) ) -(5301.07 ( 2.45) kJ * mol-1, by means of a precision oxygen-bomb combustion calorimeter at T ) 298.15 K. The standard molar enthalpy of formation has been derived, AfHm 0 (C10H11NO2, s) ) -(206.10 ( 3.97) kJ * mol-1. 10.1021/je800203s 54 232-235 1 (3,4-dimethoxyphenyl)acetonitrile C10H11NO2 1 Commercial source 1 99 2 Stated by supplier 2 None used 2 99.602 5 Fraction melting in an adiabatic calorimeter 2 carbon dioxide CO2 1 3 nitrogen N2 1 4 water H2O 1 5 oxygen O2 1 1 1 Principal objective of the work JAB TRC 2/12/2009 1 Triple point temperature, K Adiabatic calorimetry Crystal Direct value, X 1 Author Crystal Liquid Gas 1 337.082 6 1 .005 1 1 Principal objective of the work JAB TRC 2/12/2009 1 Molar enthalpy of transition or fusion, kJ/mol Adiabatic calorimetry Crystal Direct value, X 1 Author Crystal Liquid Air at 1 atmosphere 1 24.72 4 1 .14 1 1 Principal objective of the work JAB TRC 2/12/2009 1 Molar heat capacity at constant pressure, J/K/mol Small (less than 1 g) adiabatic calorimetry Crystal Direct value, X 1 Author Crystal Pressure, kPa 101.325 6 1 Temperature, K 1 78.316 5 1 80.52 4 1 .24156 1 81.065 5 1 82.37 4 1 .24711 1 84.382 5 1 84.71 4 1 .25413 1 87.299 5 1 87.42 4 1 .26226 1 90.167 5 1 89.84 4 1 .26952 1 93.05 5 1 91.31 4 1 .27393 1 95.923 5 1 93.07 4 1 .27921 1 98.777 5 1 94.96 4 1 .28488 1 102.801 6 1 97.78 4 1 .29334 1 106.788 6 1 101.8 4 1 .3054 1 109.625 6 1 103.7 4 1 .3111 1 112.503 6 1 106.5 4 1 .3195 1 115.382 6 1 108.6 4 1 .3258 1 118.251 6 1 111 4 1 .333 1 121.124 6 1 113.3 4 1 .3399 1 123.994 6 1 115.6 4 1 .3468 1 126.872 6 1 118 4 1 .354 1 129.708 6 1 120.3 4 1 .3609 1 132.551 6 1 122.1 4 1 .3663 1 135.4 6 1 124.9 4 1 .3747 1 138.257 6 1 127.8 4 1 .3834 1 141.121 6 1 129.7 4 1 .3891 1 143.944 6 1 131.8 4 1 .3954 1 146.778 6 1 134.2 4 1 .4026 1 149.623 6 1 136.7 4 1 .4101 1 153.269 6 1 139.5 4 1 .4185 1 156.884 6 1 142.9 4 1 .4287 1 159.692 6 1 144.6 4 1 .4338 1 162.545 6 1 146.5 4 1 .4395 1 165.365 6 1 148.6 4 1 .4458 1 168.161 6 1 151.4 4 1 .4542 1 170.931 6 1 153.9 4 1 .4617 1 173.775 6 1 156.3 4 1 .4689 1 176.627 6 1 157.8 4 1 .4734 1 179.459 6 1 159.5 4 1 .4785 1 182.268 6 1 162.3 4 1 .4869 1 185.06 6 1 164.3 4 1 .4929 1 187.827 6 1 167.4 4 1 .5022 1 190.652 6 1 168.8 4 1 .5064 1 196.372 6 1 174.3 4 1 .5229 1 199.232 6 1 175.5 4 1 .5265 1 202.706 6 1 177.3 4 1 .5319 1 206.121 6 1 180.1 4 1 .5403 1 208.906 6 1 182.6 4 1 .5478 1 211.792 6 1 184.7 4 1 .5541 1 214.669 6 1 185.5 4 1 .5565 1 217.535 6 1 187.8 4 1 .5634 1 220.393 6 1 189.8 4 1 .5694 1 223.237 6 1 192.6 4 1 .5778 1 226.072 6 1 194.1 4 1 .5823 1 228.974 6 1 196 4 1 .588 1 231.922 6 1 198.1 4 1 .5943 1 234.864 6 1 200.2 4 1 .6006 1 237.825 6 1 201.4 4 1 .6042 1 240.775 6 1 203 4 1 .609 1 244.26 6 1 204.7 4 1 .6141 1 247.725 6 1 206 4 1 .618 1 250.62 6 1 206.7 4 1 .6201 1 253.504 6 1 208.8 4 1 .6264 1 256.375 6 1 210.7 4 1 .6321 1 259.238 6 1 213.1 4 1 .6393 1 262.095 6 1 214.8 4 1 .6444 1 264.938 6 1 216.4 4 1 .6492 1 267.886 6 1 218.3 4 1 .6549 1 270.928 6 1 221.1 4 1 .6633 1 273.96 6 1 223.6 4 1 .6708 1 276.98 6 1 226.3 4 1 .6789 1 279.994 6 1 228.9 4 1 .6867 1 282.996 6 1 231.4 4 1 .6942 1 285.983 6 1 234.1 4 1 .7023 1 288.954 6 1 236.8 4 1 .7104 1 291.892 6 1 239.8 4 1 .7194 1 294.782 6 1 242.2 4 1 .7266 1 297.684 6 1 245.2 4 1 .7356 1 300.708 6 1 247.1 4 1 .7413 1 303.675 6 1 250.1 4 1 .7503 1 306.624 6 1 252.2 4 1 .7566 1 309.559 6 1 254.2 4 1 .7626 1 312.48 6 1 256 4 1 .768 1 315.486 6 1 259.8 4 1 .7794 1 318.586 6 1 261.9 4 1 .7857 1 321.662 6 1 267 4 1 .801 1 324.716 6 1 275 4 1 .825 1 327.73 6 1 284.8 4 1 .8544 1 330.673 6 1 313 4 1 .939 1 1 Principal objective of the work JAB TRC 2/12/2009 1 Molar heat capacity at constant pressure, J/K/mol Small (less than 1 g) adiabatic calorimetry Liquid Direct value, X 1 Author Liquid Pressure, kPa 101.325 6 1 Temperature, K 1 342.04 6 1 352 4 1 1.056 1 345.022 6 1 352.7 4 1 1.0581 1 348.083 6 1 354.6 4 1 1.0638 1 351.142 6 1 356.8 4 1 1.0704 1 354.195 6 1 358.7 4 1 1.0761 1 357.244 6 1 360.1 4 1 1.0803 1 360.284 6 1 361.3 4 1 1.0839 1 363.322 6 1 362.6 4 1 1.0878 1 366.351 6 1 364.4 4 1 1.0932 1 369.378 6 1 366.3 4 1 1.0989 1 372.4 6 1 367.9 4 1 1.1037 1 375.418 6 1 368.7 4 1 1.1061 1 378.429 6 1 370.1 4 1 1.1103 1 381.437 6 1 371.6 4 1 1.1148 1 384.44 6 1 373 4 1 1.119 1 387.437 6 1 374.5 4 1 1.1235 1 390.427 6 1 376.1 4 1 1.1283 1 393.41 6 1 377.4 4 1 1.1322 1 396.394 6 1 379.4 4 1 1.1382 1 399.376 6 1 380.9 4 1 1.1427 1 1 Principal objective of the work JAB TRC 2/12/2009 1 Molar heat capacity at constant pressure, J/K/mol Small (less than 1 g) adiabatic calorimetry Crystal Direct value, X 1 Author Crystal Pressure, kPa 101.325 6 1 Temperature, K 1 80 2 1 82.15 4 1 .24645 1 85 2 1 85.39 4 1 .25617 1 90 2 1 88.81 4 1 .26643 1 95 2 1 92.41 4 1 .27723 1 100 3 1 96.15 4 1 .28845 1 105 3 1 100 4 1 .3 1 110 3 1 104 4 1 .312 1 115 3 1 108 4 1 .324 1 120 3 1 112.1 4 1 .3363 1 125 3 1 116.3 4 1 .3489 1 130 3 1 120.4 4 1 .3612 1 135 3 1 124.6 4 1 .3738 1 140 3 1 128.8 4 1 .3864 1 145 3 1 133 4 1 .399 1 150 3 1 137.1 4 1 .4113 1 155 3 1 141.2 4 1 .4236 1 160 3 1 145.3 4 1 .4359 1 165 3 1 149.3 4 1 .4479 1 170 3 1 153.3 4 1 .4599 1 175 3 1 157.2 4 1 .4716 1 180 3 1 161 4 1 .483 1 185 3 1 164.7 4 1 .4941 1 190 3 1 168.4 4 1 .5052 1 195 3 1 172 4 1 .516 1 200 3 1 175.6 4 1 .5268 1 205 3 1 179 4 1 .537 1 210 3 1 182.5 4 1 .5475 1 215 3 1 185.8 4 1 .5574 1 220 3 1 189.1 4 1 .5673 1 225 3 1 192.4 4 1 .5772 1 230 3 1 195.6 4 1 .5868 1 235 3 1 198.8 4 1 .5964 1 240 3 1 202 4 1 .606 1 245 3 1 205.2 4 1 .6156 1 250 3 1 208.4 4 1 .6252 1 255 3 1 211.6 4 1 .6348 1 260 3 1 214.9 4 1 .6447 1 265 3 1 218.2 4 1 .6546 1 270 3 1 221.6 4 1 .6648 1 275 3 1 225.2 4 1 .6756 1 280 3 1 228.8 4 1 .6864 1 285 3 1 232.6 4 1 .6978 1 290 3 1 236.6 4 1 .7098 1 295 3 1 240.8 4 1 .7224 1 298.15 5 1 243.5 4 1 .7305 1 300 3 1 245.2 4 1 .7356 1 305 3 1 249.8 4 1 .7494 1 310 3 1 254.8 4 1 .7644 1 315 3 1 260 4 1 .78 1 320 3 1 265.6 4 1 .7968 1 1 Principal objective of the work JAB TRC 2/12/2009 1 Molar heat capacity at constant pressure, J/K/mol Small (less than 1 g) adiabatic calorimetry Liquid Direct value, X 1 Author Liquid Pressure, kPa 101.325 6 1 Temperature, K 1 340 3 1 350.5 4 1 1.0515 1 345 3 1 353.2 4 1 1.0596 1 350 3 1 356 4 1 1.068 1 355 3 1 358.7 4 1 1.0761 1 360 3 1 361.4 4 1 1.0842 1 365 3 1 363.9 4 1 1.0917 1 370 3 1 366.3 4 1 1.0989 1 375 3 1 368.7 4 1 1.1061 1 380 3 1 371 4 1 1.113 1 385 3 1 373.3 4 1 1.1199 1 390 3 1 375.7 4 1 1.1271 1 395 3 1 378.4 4 1 1.1352 1 400 3 1 381.5 4 1 1.1445 1 1 -1 Crystal 2 0 10 Ideal gas 3 0 0.5 Ideal gas 4 0 5.5 Liquid 5 -11.75 Ideal gas Principal objective of the work JAB TRC 2/12/2009 Combustion with oxygen 1 Molar internal energy of reaction at constant volume, kJ/mol Static bomb calorimetry 298.15 5 101.3 4 1 Author 1 -5297.97 6 1 2.45