- InChI
- InChI=1S/C7H7NO3/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4,9H,1H3
- InChI Key
- PIIZYNQECPTVEO-UHFFFAOYSA-N
- Formula
- C7H7NO3
- SMILES
- Cc1cc(O)ccc1[N+](=O)[O-]
- Molecular Weight1
- 153.14
- CAS
- 2581-34-2
- Other Names
-
- 2-Nitro-5-hydroxytoluene
- 3-Methyl-4-nitrophenol
- 4-Nitro-1-hydroxy-3-methylbenzene
- 4-Nitro-3-cresol
- 4-Nitro-3-methylphenol
- 4-Nitro-5-methylphenol
- 4-Nitro-m-cresol
- 5-Hydroxy-2-nitrotoluene
- 5-Methyl-4-nitrophenol
- NSC 69190
- m-Cresol, 4-nitro-
- p-Nitro-m-cresol
- p-Nitro-m-methylphenol
- ω : Acentric Factor.
- 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).
- ΔfusH : Enthalpy of fusion 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.
- 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 |
|---|---|---|---|
| ω | 0.6277 | Relay (1.0) Calculated Property | |
| ΔfG° | -8.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -127.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.80 | kJ/mol | NIST |
| IE | 9.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.609 | Crippen Calculated Property | |
| McVol | 109.020 | ml/mol | McGowan Calculated Property |
| Pc | 5008.59 | kPa | Joback Calculated Property |
| Inp | [1222.30; 1225.10] |
|
|
| Inp | 1222.30 | NIST | |
| Inp | 1225.10 | NIST | |
| Tboil | 551.37 | K | Relay (1.0) Calculated Property |
| Tc | 802.05 | K | Relay (1.0) Calculated Property |
| Tfus | 401.00 ± 0.10 | K | NIST |
| Vc | 0.365 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [262.28; 310.10] | J/mol×K | [623.68; 883.67] |
|
| Cp,gas | 262.28 | J/mol×K | 623.68 | Joback Calculated Property |
| Cp,gas | 271.81 | J/mol×K | 667.01 | Joback Calculated Property |
| Cp,gas | 280.56 | J/mol×K | 710.34 | Joback Calculated Property |
| Cp,gas | 288.66 | J/mol×K | 753.67 | Joback Calculated Property |
| Cp,gas | 296.21 | J/mol×K | 797.01 | Joback Calculated Property |
| Cp,gas | 303.32 | J/mol×K | 840.34 | Joback Calculated Property |
| Cp,gas | 310.10 | J/mol×K | 883.67 | Joback Calculated Property |
| ΔfusH | [27.40; 27.40] | kJ/mol | [401.00; 401.00] |
|
| ΔfusH | 27.40 | kJ/mol | 401.00 | NIST |
| ΔfusH | 27.40 | kJ/mol | 401.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [332.74; 608.96] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 9.83023e+00 | |||
| Coefficient B | -2.37090e+03 | |||
| Coefficient C | -8.42820e+01 | |||
| Temperature range, min. | 332.74 | |||
| Temperature range, max. | 608.96 | |||
| Pvap | 1.33 | kPa | 332.74 | Calculated Property |
| Pvap | 3.81 | kPa | 363.43 | Calculated Property |
| Pvap | 8.83 | kPa | 394.12 | Calculated Property |
| Pvap | 17.60 | kPa | 424.81 | Calculated Property |
| Pvap | 31.30 | kPa | 455.50 | Calculated Property |
| Pvap | 50.97 | kPa | 486.20 | Calculated Property |
| Pvap | 77.46 | kPa | 516.89 | Calculated Property |
| Pvap | 111.36 | kPa | 547.58 | Calculated Property |
| Pvap | 153.04 | kPa | 578.27 | Calculated Property |
| Pvap | 202.65 | kPa | 608.96 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 3-methyl-4-nitro-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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