- InChI
- InChI=1S/C8H5NO6/c10-7(11)5-2-1-4(9(14)15)3-6(5)8(12)13/h1-3H,(H,10,11)(H,12,13)
- InChI Key
- SLBQXWXKPNIVSQ-UHFFFAOYSA-N
- Formula
- C8H5NO6
- SMILES
-
O=C(O)c1ccc([N+](=O)[O-])cc1C(
=O)O - Molecular Weight1
- 211.13
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- ρs : Solid Density (kg/m3).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -386.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -535.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.00 | kJ/mol | Experim... |
| ΔvapH° | 100.44 | kJ/mol | Joback Calculated Property |
| log10WS | -2.24 | Crippen Calculated Property | |
| logPoct/wat | 0.991 | Crippen Calculated Property | |
| McVol | 132.120 | ml/mol | McGowan Calculated Property |
| Pc | 5382.80 | kPa | Joback Calculated Property |
| Tboil | 863.02 | K | Joback Calculated Property |
| Tc | 1085.33 | K | Joback Calculated Property |
| Tfus | [432.82; 440.00] | K |
|
| Tfus | 440.00 | K | Experim... |
| Tfus | 432.82 | K | Researc... |
| Vc | 0.507 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [352.06; 376.40] | J/mol×K | [863.02; 1085.33] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 350 355 360 365 370 375 900 950 1000 1050 | ||||
| Cp,gas | 352.06 | J/mol×K | 863.02 | Joback Calculated Property |
| Cp,gas | 357.35 | J/mol×K | 900.07 | Joback Calculated Property |
| Cp,gas | 362.11 | J/mol×K | 937.12 | Joback Calculated Property |
| Cp,gas | 366.37 | J/mol×K | 974.18 | Joback Calculated Property |
| Cp,gas | 370.16 | J/mol×K | 1011.23 | Joback Calculated Property |
| Cp,gas | 373.49 | J/mol×K | 1048.28 | Joback Calculated Property |
| Cp,gas | 376.40 | J/mol×K | 1085.33 | Joback Calculated Property |
| Cp,solid | [229.53; 290.33] | J/mol×K | [295.15; 395.15] |
|
|
T(K) Solid phase heat capacity (J/mol×K) 230 240 250 260 270 280 290 300 350 | ||||
| Cp,solid | 229.53 | J/mol×K | 295.15 | Experim... |
| Cp,solid | 230.90 | J/mol×K | 296.15 | Experim... |
| Cp,solid | 232.06 | J/mol×K | 297.15 | Experim... |
| Cp,solid | 233.01 | J/mol×K | 298.15 | Experim... |
| Cp,solid | 233.22 | J/mol×K | 299.15 | Experim... |
| Cp,solid | 234.59 | J/mol×K | 300.15 | Experim... |
| Cp,solid | 236.28 | J/mol×K | 301.15 | Experim... |
| Cp,solid | 237.02 | J/mol×K | 302.15 | Experim... |
| Cp,solid | 237.97 | J/mol×K | 303.15 | Experim... |
| Cp,solid | 239.13 | J/mol×K | 304.15 | Experim... |
| Cp,solid | 239.66 | J/mol×K | 305.15 | Experim... |
| Cp,solid | 240.19 | J/mol×K | 306.15 | Experim... |
| Cp,solid | 240.50 | J/mol×K | 307.15 | Experim... |
| Cp,solid | 240.61 | J/mol×K | 308.15 | Experim... |
| Cp,solid | 240.93 | J/mol×K | 309.15 | Experim... |
| Cp,solid | 242.51 | J/mol×K | 310.15 | Experim... |
| Cp,solid | 241.24 | J/mol×K | 311.15 | Experim... |
| Cp,solid | 242.62 | J/mol×K | 312.15 | Experim... |
| Cp,solid | 243.57 | J/mol×K | 313.15 | Experim... |
| Cp,solid | 244.09 | J/mol×K | 314.15 | Experim... |
| Cp,solid | 244.83 | J/mol×K | 315.15 | Experim... |
| Cp,solid | 245.36 | J/mol×K | 316.15 | Experim... |
| Cp,solid | 246.10 | J/mol×K | 317.15 | Experim... |
| Cp,solid | 246.20 | J/mol×K | 318.15 | Experim... |
| Cp,solid | 246.94 | J/mol×K | 319.15 | Experim... |
| Cp,solid | 248.00 | J/mol×K | 320.15 | Experim... |
| Cp,solid | 248.74 | J/mol×K | 321.15 | Experim... |
| Cp,solid | 249.37 | J/mol×K | 322.15 | Experim... |
| Cp,solid | 250.22 | J/mol×K | 323.15 | Experim... |
| Cp,solid | 250.95 | J/mol×K | 324.15 | Experim... |
| Cp,solid | 251.69 | J/mol×K | 325.15 | Experim... |
| Cp,solid | 252.22 | J/mol×K | 326.15 | Experim... |
| Cp,solid | 252.64 | J/mol×K | 327.15 | Experim... |
| Cp,solid | 253.38 | J/mol×K | 328.15 | Experim... |
| Cp,solid | 254.02 | J/mol×K | 329.15 | Experim... |
| Cp,solid | 254.54 | J/mol×K | 330.15 | Experim... |
| Cp,solid | 255.07 | J/mol×K | 331.15 | Experim... |
| Cp,solid | 255.71 | J/mol×K | 332.15 | Experim... |
| Cp,solid | 256.23 | J/mol×K | 333.15 | Experim... |
| Cp,solid | 256.76 | J/mol×K | 334.15 | Experim... |
| Cp,solid | 257.50 | J/mol×K | 335.15 | Experim... |
| Cp,solid | 258.34 | J/mol×K | 336.15 | Experim... |
| Cp,solid | 256.97 | J/mol×K | 337.15 | Experim... |
| Cp,solid | 258.45 | J/mol×K | 338.15 | Experim... |
| Cp,solid | 258.98 | J/mol×K | 339.15 | Experim... |
| Cp,solid | 259.40 | J/mol×K | 340.15 | Experim... |
| Cp,solid | 259.93 | J/mol×K | 341.15 | Experim... |
| Cp,solid | 260.67 | J/mol×K | 342.15 | Experim... |
| Cp,solid | 261.41 | J/mol×K | 343.15 | Experim... |
| Cp,solid | 261.72 | J/mol×K | 344.15 | Experim... |
| Cp,solid | 262.25 | J/mol×K | 345.15 | Experim... |
| Cp,solid | 262.78 | J/mol×K | 346.15 | Experim... |
| Cp,solid | 263.52 | J/mol×K | 347.15 | Experim... |
| Cp,solid | 263.94 | J/mol×K | 348.15 | Experim... |
| Cp,solid | 264.47 | J/mol×K | 349.15 | Experim... |
| Cp,solid | 264.99 | J/mol×K | 350.15 | Experim... |
| Cp,solid | 265.42 | J/mol×K | 351.15 | Experim... |
| Cp,solid | 266.05 | J/mol×K | 352.15 | Experim... |
| Cp,solid | 266.26 | J/mol×K | 353.15 | Experim... |
| Cp,solid | 266.79 | J/mol×K | 354.15 | Experim... |
| Cp,solid | 267.32 | J/mol×K | 355.15 | Experim... |
| Cp,solid | 267.74 | J/mol×K | 356.15 | Experim... |
| Cp,solid | 267.95 | J/mol×K | 357.15 | Experim... |
| Cp,solid | 268.58 | J/mol×K | 358.15 | Experim... |
| Cp,solid | 268.90 | J/mol×K | 359.15 | Experim... |
| Cp,solid | 269.64 | J/mol×K | 360.15 | Experim... |
| Cp,solid | 269.85 | J/mol×K | 361.15 | Experim... |
| Cp,solid | 270.27 | J/mol×K | 362.15 | Experim... |
| Cp,solid | 270.59 | J/mol×K | 363.15 | Experim... |
| Cp,solid | 271.12 | J/mol×K | 364.15 | Experim... |
| Cp,solid | 271.86 | J/mol×K | 365.15 | Experim... |
| Cp,solid | 272.17 | J/mol×K | 366.15 | Experim... |
| Cp,solid | 272.81 | J/mol×K | 367.15 | Experim... |
| Cp,solid | 273.23 | J/mol×K | 368.15 | Experim... |
| Cp,solid | 274.07 | J/mol×K | 369.15 | Experim... |
| Cp,solid | 274.39 | J/mol×K | 370.15 | Experim... |
| Cp,solid | 275.02 | J/mol×K | 371.15 | Experim... |
| Cp,solid | 275.23 | J/mol×K | 372.15 | Experim... |
| Cp,solid | 275.66 | J/mol×K | 373.15 | Experim... |
| Cp,solid | 276.29 | J/mol×K | 374.15 | Experim... |
| Cp,solid | 276.61 | J/mol×K | 375.15 | Experim... |
| Cp,solid | 277.03 | J/mol×K | 376.15 | Experim... |
| Cp,solid | 277.56 | J/mol×K | 377.15 | Experim... |
| Cp,solid | 278.51 | J/mol×K | 378.15 | Experim... |
| Cp,solid | 279.03 | J/mol×K | 379.15 | Experim... |
| Cp,solid | 279.56 | J/mol×K | 380.15 | Experim... |
| Cp,solid | 280.30 | J/mol×K | 381.15 | Experim... |
| Cp,solid | 280.83 | J/mol×K | 382.15 | Experim... |
| Cp,solid | 281.57 | J/mol×K | 383.15 | Experim... |
| Cp,solid | 282.10 | J/mol×K | 384.15 | Experim... |
| Cp,solid | 282.84 | J/mol×K | 385.15 | Experim... |
| Cp,solid | 283.26 | J/mol×K | 386.15 | Experim... |
| Cp,solid | 284.21 | J/mol×K | 387.15 | Experim... |
| Cp,solid | 284.95 | J/mol×K | 388.15 | Experim... |
| Cp,solid | 285.37 | J/mol×K | 389.15 | Experim... |
| Cp,solid | 286.64 | J/mol×K | 390.15 | Experim... |
| Cp,solid | 287.48 | J/mol×K | 391.15 | Experim... |
| Cp,solid | 288.22 | J/mol×K | 392.15 | Experim... |
| Cp,solid | 288.32 | J/mol×K | 393.15 | Experim... |
| Cp,solid | 289.27 | J/mol×K | 394.15 | Experim... |
| Cp,solid | 290.33 | J/mol×K | 395.15 | Experim... |
| ΔvapH | 114.10 | kJ/mol | 422.00 | Experim... |
| ρs | 1647.00 | kg/m3 | 298.15 | Experim... |
Similar Compounds
Find more compounds similar to 4-nitrophthalic acid.
Sources
- Crippen Method
- Crippen Method
- Experimental and computational thermochemistry of 3- and 4-nitrophthalic acids
- Research on the application of 7-chloro-quinaldine adducts in 7-chloro-quinaldine separation process
- Joback Method
- McGowan Method
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