- InChI
- InChI=1S/C7H4N2O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)
- InChI Key
- OMVRRHJJQILIJX-UHFFFAOYSA-N
- Formula
- C7H4N2O6
- SMILES
-
O=C(O)c1ccc([N+](=O)[O-])c([N+
](=O)[O-])c1 - Molecular Weight1
- 212.12
- Other Names
-
- benzoic acid, 3,4-dinitro-
- Cp,gas : Ideal gas 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).
- 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).
- Psub : Sublimation pressure (kPa).
- Pvap : Vapor pressure (kPa).
- 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° | -93.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -260.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.60 | kJ/mol | Vapor p... |
| ΔvapH° | 91.38 | kJ/mol | Joback Calculated Property |
| log10WS | -2.83 | Crippen Calculated Property | |
| logPoct/wat | 1.201 | Crippen Calculated Property | |
| McVol | 128.010 | ml/mol | McGowan Calculated Property |
| Pc | 5029.93 | kPa | Joback Calculated Property |
| Tboil | 845.93 | K | Joback Calculated Property |
| Tc | 1098.09 | K | Joback Calculated Property |
| Tfus | 438.20 | K | Vapor p... |
| Vc | 0.508 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [337.32; 363.88] | J/mol×K | [845.93; 1098.09] | 
|
|
T(K) Ideal gas heat capacity (J/mol×K) 335 340 345 350 355 360 365 900 1000 1100 | ||||
| Cp,gas | 337.32 | J/mol×K | 845.93 | Joback Calculated Property |
| Cp,gas | 343.27 | J/mol×K | 887.96 | Joback Calculated Property |
| Cp,gas | 348.56 | J/mol×K | 929.98 | Joback Calculated Property |
| Cp,gas | 353.23 | J/mol×K | 972.01 | Joback Calculated Property |
| Cp,gas | 357.31 | J/mol×K | 1014.04 | Joback Calculated Property |
| Cp,gas | 360.85 | J/mol×K | 1056.06 | Joback Calculated Property |
| Cp,gas | 363.88 | J/mol×K | 1098.09 | Joback Calculated Property |
| Psub | [6.00e-05; 1.95e-03] | kPa | [366.00; 399.30] |
|
|
T(K) Sublimation pressure (kPa) 0 5.00e-4 1.00e-3 1.50e-3 2.00e-3 370 380 390 400 | ||||
| Psub | 6.00e-05 | kPa | 366.00 | Vapor p... |
| Psub | 7.50e-05 | kPa | 367.00 | Vapor p... |
| Psub | 7.50e-05 | kPa | 368.00 | Vapor p... |
| Psub | 9.00e-05 | kPa | 369.00 | Vapor p... |
| Psub | 1.05e-04 | kPa | 370.00 | Vapor p... |
| Psub | 1.05e-04 | kPa | 370.50 | Vapor p... |
| Psub | 1.50e-04 | kPa | 373.00 | Vapor p... |
| Psub | 1.50e-04 | kPa | 373.50 | Vapor p... |
| Psub | 1.50e-04 | kPa | 374.00 | Vapor p... |
| Psub | 1.50e-04 | kPa | 374.50 | Vapor p... |
| Psub | 1.80e-04 | kPa | 376.00 | Vapor p... |
| Psub | 2.40e-04 | kPa | 378.00 | Vapor p... |
| Psub | 2.70e-04 | kPa | 379.00 | Vapor p... |
| Psub | 2.70e-04 | kPa | 380.00 | Vapor p... |
| Psub | 3.90e-04 | kPa | 382.00 | Vapor p... |
| Psub | 3.60e-04 | kPa | 382.00 | Vapor p... |
| Psub | 3.90e-04 | kPa | 383.00 | Vapor p... |
| Psub | 3.90e-04 | kPa | 383.50 | Vapor p... |
| Psub | 4.80e-04 | kPa | 384.50 | Vapor p... |
| Psub | 5.11e-04 | kPa | 385.00 | Vapor p... |
| Psub | 5.41e-04 | kPa | 386.50 | Vapor p... |
| Psub | 5.71e-04 | kPa | 387.00 | Vapor p... |
| Psub | 6.31e-04 | kPa | 387.50 | Vapor p... |
| Psub | 6.31e-04 | kPa | 387.50 | Vapor p... |
| Psub | 8.41e-04 | kPa | 390.50 | Vapor p... |
| Psub | 9.01e-04 | kPa | 391.50 | Vapor p... |
| Psub | 9.91e-04 | kPa | 392.00 | Vapor p... |
| Psub | 1.17e-03 | kPa | 393.00 | Vapor p... |
| Psub | 1.11e-03 | kPa | 393.50 | Vapor p... |
| Psub | 1.50e-03 | kPa | 396.00 | Vapor p... |
| Psub | 1.44e-03 | kPa | 396.00 | Vapor p... |
| Psub | 1.62e-03 | kPa | 396.50 | Vapor p... |
| Psub | 1.65e-03 | kPa | 397.00 | Vapor p... |
| Psub | 1.86e-03 | kPa | 398.50 | Vapor p... |
| Psub | 1.95e-03 | kPa | 399.30 | Vapor p... |
| Pvap | [1.40; 5.86] | kPa | [504.20; 540.60] |
|
|
T(K) Vapor pressure (kPa) 1 2 3 4 5 6 510 520 530 540 | ||||
| Pvap | 1.40 | kPa | 504.20 | Vapor p... |
| Pvap | 1.53 | kPa | 506.30 | Vapor p... |
| Pvap | 1.47 | kPa | 506.30 | Vapor p... |
| Pvap | 1.66 | kPa | 508.10 | Vapor p... |
| Pvap | 1.69 | kPa | 509.30 | Vapor p... |
| Pvap | 1.71 | kPa | 509.30 | Vapor p... |
| Pvap | 1.85 | kPa | 510.30 | Vapor p... |
| Pvap | 1.85 | kPa | 511.20 | Vapor p... |
| Pvap | 2.06 | kPa | 512.20 | Vapor p... |
| Pvap | 1.93 | kPa | 512.20 | Vapor p... |
| Pvap | 2.02 | kPa | 512.60 | Vapor p... |
| Pvap | 2.08 | kPa | 513.30 | Vapor p... |
| Pvap | 2.14 | kPa | 514.00 | Vapor p... |
| Pvap | 2.19 | kPa | 514.20 | Vapor p... |
| Pvap | 2.16 | kPa | 514.50 | Vapor p... |
| Pvap | 2.24 | kPa | 515.20 | Vapor p... |
| Pvap | 2.33 | kPa | 516.30 | Vapor p... |
| Pvap | 2.21 | kPa | 516.30 | Vapor p... |
| Pvap | 2.42 | kPa | 517.30 | Vapor p... |
| Pvap | 2.49 | kPa | 517.40 | Vapor p... |
| Pvap | 2.40 | kPa | 517.50 | Vapor p... |
| Pvap | 2.52 | kPa | 518.20 | Vapor p... |
| Pvap | 2.48 | kPa | 518.20 | Vapor p... |
| Pvap | 2.45 | kPa | 518.30 | Vapor p... |
| Pvap | 2.58 | kPa | 519.10 | Vapor p... |
| Pvap | 2.65 | kPa | 519.30 | Vapor p... |
| Pvap | 2.55 | kPa | 519.50 | Vapor p... |
| Pvap | 2.62 | kPa | 520.00 | Vapor p... |
| Pvap | 2.67 | kPa | 520.20 | Vapor p... |
| Pvap | 2.77 | kPa | 520.20 | Vapor p... |
| Pvap | 2.73 | kPa | 520.20 | Vapor p... |
| Pvap | 2.92 | kPa | 521.20 | Vapor p... |
| Pvap | 2.81 | kPa | 521.30 | Vapor p... |
| Pvap | 2.81 | kPa | 521.70 | Vapor p... |
| Pvap | 2.91 | kPa | 522.10 | Vapor p... |
| Pvap | 2.97 | kPa | 522.10 | Vapor p... |
| Pvap | 2.98 | kPa | 522.20 | Vapor p... |
| Pvap | 3.10 | kPa | 523.10 | Vapor p... |
| Pvap | 3.12 | kPa | 523.30 | Vapor p... |
| Pvap | 3.10 | kPa | 523.30 | Vapor p... |
| Pvap | 3.12 | kPa | 523.50 | Vapor p... |
| Pvap | 3.12 | kPa | 524.10 | Vapor p... |
| Pvap | 3.06 | kPa | 524.20 | Vapor p... |
| Pvap | 3.18 | kPa | 524.20 | Vapor p... |
| Pvap | 3.20 | kPa | 524.40 | Vapor p... |
| Pvap | 3.35 | kPa | 525.00 | Vapor p... |
| Pvap | 3.39 | kPa | 525.20 | Vapor p... |
| Pvap | 3.33 | kPa | 525.50 | Vapor p... |
| Pvap | 3.49 | kPa | 526.00 | Vapor p... |
| Pvap | 3.33 | kPa | 526.30 | Vapor p... |
| Pvap | 3.41 | kPa | 526.30 | Vapor p... |
| Pvap | 3.29 | kPa | 526.30 | Vapor p... |
| Pvap | 3.32 | kPa | 526.50 | Vapor p... |
| Pvap | 3.58 | kPa | 527.10 | Vapor p... |
| Pvap | 3.64 | kPa | 527.30 | Vapor p... |
| Pvap | 3.55 | kPa | 527.30 | Vapor p... |
| Pvap | 3.63 | kPa | 528.10 | Vapor p... |
| Pvap | 3.73 | kPa | 528.10 | Vapor p... |
| Pvap | 3.63 | kPa | 528.20 | Vapor p... |
| Pvap | 3.83 | kPa | 528.30 | Vapor p... |
| Pvap | 3.89 | kPa | 529.20 | Vapor p... |
| Pvap | 3.76 | kPa | 529.40 | Vapor p... |
| Pvap | 3.92 | kPa | 529.60 | Vapor p... |
| Pvap | 3.88 | kPa | 529.60 | Vapor p... |
| Pvap | 3.98 | kPa | 530.10 | Vapor p... |
| Pvap | 4.04 | kPa | 530.30 | Vapor p... |
| Pvap | 4.04 | kPa | 530.30 | Vapor p... |
| Pvap | 4.16 | kPa | 531.00 | Vapor p... |
| Pvap | 4.22 | kPa | 531.30 | Vapor p... |
| Pvap | 4.26 | kPa | 531.30 | Vapor p... |
| Pvap | 4.29 | kPa | 532.20 | Vapor p... |
| Pvap | 4.35 | kPa | 532.20 | Vapor p... |
| Pvap | 4.31 | kPa | 532.20 | Vapor p... |
| Pvap | 4.35 | kPa | 532.20 | Vapor p... |
| Pvap | 4.48 | kPa | 533.20 | Vapor p... |
| Pvap | 4.58 | kPa | 533.30 | Vapor p... |
| Pvap | 4.47 | kPa | 533.30 | Vapor p... |
| Pvap | 4.53 | kPa | 534.30 | Vapor p... |
| Pvap | 4.61 | kPa | 534.30 | Vapor p... |
| Pvap | 4.81 | kPa | 535.40 | Vapor p... |
| Pvap | 4.87 | kPa | 535.70 | Vapor p... |
| Pvap | 4.89 | kPa | 536.20 | Vapor p... |
| Pvap | 4.99 | kPa | 536.50 | Vapor p... |
| Pvap | 5.22 | kPa | 537.30 | Vapor p... |
| Pvap | 5.36 | kPa | 538.30 | Vapor p... |
| Pvap | 5.68 | kPa | 539.30 | Vapor p... |
| Pvap | 5.86 | kPa | 540.60 | Vapor p... |
Similar Compounds
Find more compounds similar to 3,4-dinitrobenzoic acid.
Sources
- Crippen Method
- Crippen Method
- Vapor pressures and standard molar enthalpies, entropies, and Gibbs free energies of sublimation of 2,4- and 3,4-dinitrobenzoic acids
- Joback Method
- McGowan Method
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