- InChI
- InChI=1S/C6H5NO3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H
- InChI Key
- RTZZCYNQPHTPPL-UHFFFAOYSA-N
- Formula
- C6H5NO3
- SMILES
- O=[N+]([O-])c1cccc(O)c1
- Molecular Weight1
- 139.11
- CAS
- 554-84-7
- Other Names
-
- 1-Hydroxy-3-nitrobenzene
- 3-Hydroxynitrobenzene
- 3-Nitrophenol
- NSC 1551
- Phenol, m-nitro-
- m-Hydroxynitrobenzene
- m-Nitrofenol
- m-Nitrophenol
- meta-Nitrophenol
- 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 standard conditions (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).
- Tboilr : Boiling point at reduced pressure (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 | [-2880.00; -2870.00] | kJ/mol |
|
| ΔcH°solid | -2875.10 ± 0.90 | kJ/mol | NIST |
| ΔcH°solid | -2870.00 ± 1.50 | kJ/mol | NIST |
| ΔcH°solid | -2880.00 | kJ/mol | NIST |
| ΔfG° | -7.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-109.30; -105.50] | kJ/mol |
|
| ΔfH°gas | -109.30 ± 1.10 | kJ/mol | NIST |
| ΔfH°gas | -105.50 ± 1.80 | kJ/mol | NIST |
| ΔfH°solid | [-225.00; -200.50] | kJ/mol |
|
| ΔfH°solid | -200.50 ± 1.00 | kJ/mol | NIST |
| ΔfH°solid | -205.70 ± 1.70 | kJ/mol | NIST |
| ΔfH°solid | -225.00 | kJ/mol | NIST |
| ΔfusH° | 22.48 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [91.20; 100.20] | kJ/mol |
|
| ΔsubH° | 91.23 ± 0.49 | kJ/mol | NIST |
| ΔsubH° | 91.20 ± 0.50 | kJ/mol | NIST |
| ΔsubH° | 100.20 ± 0.60 | kJ/mol | NIST |
| ΔsubH° | 100.20 ± 0.60 | kJ/mol | NIST |
| ΔvapH° | 85.90 | kJ/mol | NIST |
| IE | [9.00; 9.33] | eV |
|
| IE | 9.00 | eV | NIST |
| IE | 9.33 | eV | NIST |
| log10WS | [-1.01; -1.01] |
|
|
| log10WS | -1.01 | Aq. Sol... | |
| log10WS | -1.01 | Estimat... | |
| logPoct/wat | 1.300 | Crippen Calculated Property | |
| McVol | 94.930 | ml/mol | McGowan Calculated Property |
| Pc | 5899.00 | kPa | Joback Calculated Property |
| Inp | [1484.60; 1530.00] |
|
|
| Inp | 1514.00 | NIST | |
| Inp | 1530.00 | NIST | |
| Inp | 1484.60 | NIST | |
| Inp | 1484.60 | NIST | |
| Inp | 1514.00 | NIST | |
| Tboil | 595.82 | K | Joback Calculated Property |
| Tc | 861.12 | K | Joback Calculated Property |
| Tfus | 370.10 | K | Aq. Sol... |
| Vc | 0.311 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [219.41; 261.56] | J/mol×K | [595.82; 861.12] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 220 230 240 250 260 600 700 800 | ||||
| Cp,gas | 219.41 | J/mol×K | 595.82 | Joback Calculated Property |
| Cp,gas | 228.08 | J/mol×K | 640.04 | Joback Calculated Property |
| Cp,gas | 235.93 | J/mol×K | 684.25 | Joback Calculated Property |
| Cp,gas | 243.08 | J/mol×K | 728.47 | Joback Calculated Property |
| Cp,gas | 249.65 | J/mol×K | 772.69 | Joback Calculated Property |
| Cp,gas | 255.77 | J/mol×K | 816.90 | Joback Calculated Property |
| Cp,gas | 261.56 | J/mol×K | 861.12 | Joback Calculated Property |
| ΔfusH | [18.06; 21.30] | kJ/mol | [369.00; 371.20] |
|
|
T(K) Enthalpy of fusion at a given temperature (kJ/mol) 18 18.5 19 19.5 20 20.5 21 21.5 369 370 371 | ||||
| ΔfusH | 18.06 | kJ/mol | 369.00 | NIST |
| ΔfusH | 21.30 | kJ/mol | 369.95 | NIST |
| ΔfusH | 19.20 | kJ/mol | 370.00 | NIST |
| ΔfusH | 19.20 | kJ/mol | 370.00 | NIST |
| ΔfusH | 19.19 | kJ/mol | 371.20 | NIST |
| ΔfusH | 19.19 | kJ/mol | 371.20 | NIST |
| ΔsubH | [76.20; 98.50] | kJ/mol | [319.50; 330.50] |
|
| ΔsubH | 76.20 | kJ/mol | 319.50 | NIST |
| ΔsubH | 98.50 ± 0.60 | kJ/mol | 321.00 | NIST |
| ΔsubH | 92.00 ± 2.00 | kJ/mol | 328.00 | NIST |
| ΔsubH | 91.60 ± 1.70 | kJ/mol | 330.50 | NIST |
| ΔfusS | [51.88; 57.60] | J/mol×K | [369.95; 370.00] |
|
| ΔfusS | 57.60 | J/mol×K | 369.95 | NIST |
| ΔfusS | 51.88 | J/mol×K | 370.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 467.20 | K | 9.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [319.32; 584.92] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 9.89249e+00 | |||
| Coefficient B | -2.32617e+03 | |||
| Coefficient C | -7.71340e+01 | |||
| Temperature range, min. | 319.32 | |||
| Temperature range, max. | 584.92 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 400 500 | ||||
| Pvap | 1.33 | kPa | 319.32 | Calculated Property |
| Pvap | 3.78 | kPa | 348.83 | Calculated Property |
| Pvap | 8.76 | kPa | 378.34 | Calculated Property |
| Pvap | 17.44 | kPa | 407.85 | Calculated Property |
| Pvap | 31.03 | kPa | 437.36 | Calculated Property |
| Pvap | 50.60 | kPa | 466.88 | Calculated Property |
| Pvap | 77.02 | kPa | 496.39 | Calculated Property |
| Pvap | 110.94 | kPa | 525.90 | Calculated Property |
| Pvap | 152.75 | kPa | 555.41 | Calculated Property |
| Pvap | 202.65 | kPa | 584.92 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 3-nitro-.
Sources
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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