- InChI
- InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H
- InChI Key
- UFBJCMHMOXMLKC-UHFFFAOYSA-N
- Formula
- C6H4N2O5
- SMILES
-
O=[N+]([O-])c1ccc(O)c([N+](=O)
[O-])c1 - Molecular Weight1
- 184.11
- CAS
- 51-28-5
- Other Names
-
- 1-Hydroxy-2,4-dinitrobenzene
- 2,4-DINITROPHENOL
- 2,4-DNP
- 2,4-Dinitrofenol
- ALPHA-DINITROPHENOL
- Aldifen
- Chemox PE
- DNP
- Dinitrofenolo
- Dinitrophenol
- Dinofan
- EK 102
- Fenoxyl Carbon N
- Maroxol-50
- NITROPHENE
- NSC 1532
- Nitro kleenup
- Nitrophen
- Phenol, «alpha»-dinitro-
- Phenol, «alpha»-dinitro-
- Rcra waste number P048
- Solfo Black 2B Supra
- Solfo Black B
- Solfo Black BB
- Solfo Black G
- Solfo Black SB
- Tertrosulfur PBR
- Tertrosulfur black pb
- Tertrosulphur Black PB
- Tertrosulphur PBR
- X 32
- «alpha»-Dinitrophenol
- «alpha»-Dinitrophenol
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- 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 |
|---|---|---|---|
| ΔcH°solid | [-2720.00; -2696.90] | kJ/mol |
|
| ΔcH°solid | -2697.20 ± 3.20 | kJ/mol | NIST |
| ΔcH°solid | -2696.90 ± 2.70 | kJ/mol | NIST |
| ΔcH°solid | -2703.10 ± 2.70 | kJ/mol | NIST |
| ΔcH°solid | -2709.68 | kJ/mol | NIST |
| ΔcH°solid | -2720.00 | kJ/mol | NIST |
| ΔfG° | 18.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -140.94 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | [-235.50; -223.00] | kJ/mol |
|
| ΔfH°solid | -235.50 | kJ/mol | NIST |
| ΔfH°solid | -223.00 | kJ/mol | NIST |
| ΔfusH° | 33.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.08 | kJ/mol | Joback Calculated Property |
| IE | 9.57 | eV | NIST |
| log10WS | -2.32 | Crippen Calculated Property | |
| logPoct/wat | 1.209 | Crippen Calculated Property | |
| McVol | 112.350 | ml/mol | McGowan Calculated Property |
| Pc | 5871.90 | kPa | Joback Calculated Property |
| Inp | [257.00; 1512.00] |
|
|
| Inp | 1512.00 | NIST | |
| Inp | 1500.00 | NIST | |
| Inp | 1471.00 | NIST | |
| Inp | 257.00 | NIST | |
| Inp | 258.24 | NIST | |
| Inp | 1471.00 | NIST | |
| Inp | 257.00 | NIST | |
| Tboil | 752.64 | K | Joback Calculated Property |
| Tc | 1038.65 | K | Joback Calculated Property |
| Tfus | [385.95; 388.00] | K |
|
| Tfus | 385.95 | K | KDB |
| Tfus | 388.00 ± 0.20 | K | NIST |
| Vc | 0.394 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [287.91; 327.23] | J/mol×K | [752.64; 1038.65] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 290 300 310 320 330 800 900 1000 | ||||
| Cp,gas | 287.91 | J/mol×K | 752.64 | Joback Calculated Property |
| Cp,gas | 295.32 | J/mol×K | 800.31 | Joback Calculated Property |
| Cp,gas | 302.18 | J/mol×K | 847.98 | Joback Calculated Property |
| Cp,gas | 308.65 | J/mol×K | 895.64 | Joback Calculated Property |
| Cp,gas | 314.88 | J/mol×K | 943.31 | Joback Calculated Property |
| Cp,gas | 321.02 | J/mol×K | 990.98 | Joback Calculated Property |
| Cp,gas | 327.23 | J/mol×K | 1038.65 | Joback Calculated Property |
| ΔfusH | [24.17; 26.19] | kJ/mol | [383.20; 388.00] |
|
| ΔfusH | 26.19 | kJ/mol | 383.20 | NIST |
| ΔfusH | 24.17 | kJ/mol | 388.00 | NIST |
| ΔfusH | 24.17 | kJ/mol | 388.00 | NIST |
| ΔfusH | 24.17 | kJ/mol | 388.00 | NIST |
| ΔsubH | [104.60; 104.60] | kJ/mol | [293.00; 313.00] |
|
| ΔsubH | 104.60 ± 4.20 | kJ/mol | 293.00 | NIST |
| ΔsubH | 104.60 ± 4.20 | kJ/mol | 313.00 | NIST |
| ΔfusS | 62.30 | J/mol×K | 388.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [2.69e-06; 4.65e-04] | kPa | [293.15; 333.15] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 3.00816e+01 | |||
| Coefficient B | -1.25851e+04 | |||
| Coefficient C | 3.92271e-03 | |||
| Coefficient D | -6.67004e-09 | |||
| Temperature range, min. | 293.15 | |||
| Temperature range, max. | 333.15 | |||
|
T(K) Vapor pressure (kPa) 0 1.00e-4 2.00e-4 3.00e-4 4.00e-4 5.00e-4 300 310 320 330 | ||||
| Pvap | 2.69e-06 | kPa | 293.15 | Calculated Property |
| Pvap | 5.10e-06 | kPa | 297.59 | Calculated Property |
| Pvap | 9.50e-06 | kPa | 302.04 | Calculated Property |
| Pvap | 1.74e-05 | kPa | 306.48 | Calculated Property |
| Pvap | 3.13e-05 | kPa | 310.93 | Calculated Property |
| Pvap | 5.53e-05 | kPa | 315.37 | Calculated Property |
| Pvap | 9.64e-05 | kPa | 319.82 | Calculated Property |
| Pvap | 1.65e-04 | kPa | 324.26 | Calculated Property |
| Pvap | 2.79e-04 | kPa | 328.71 | Calculated Property |
| Pvap | 4.65e-04 | kPa | 333.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2,4-dinitro-.
Sources
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