- InChI
- InChI=1S/C8H9NO2/c1-6-3-4-7(2)8(5-6)9(10)11/h3-5H,1-2H3
- InChI Key
- BSFHJMGROOFSRA-UHFFFAOYSA-N
- Formula
- C8H9NO2
- SMILES
- Cc1ccc(C)c([N+](=O)[O-])c1
- Molecular Weight1
- 151.16
- CAS
- 89-58-7
- Other Names
-
- 1,4-Dimethyl-2-nitrobenzene
- 1-Nitro-2,5-dimethylbenzene
- 2,5-Dimethyl-1-nitrobenzene
- 2,5-Dimethylnitrobenzene
- 2-Nitro-1,4-dimethylbenzene
- 2-Nitro-p-xylene
- 2-Nitro-para-xylene
- NSC 5591
- Nitro-p-xylene
- p-Xylene, 2-nitro-
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5074 | Relay (1.0) Calculated Property | |
| ΔfG° | 145.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 3.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.212 | Crippen Calculated Property | |
| McVol | 117.240 | ml/mol | McGowan Calculated Property |
| Pc | 3572.80 | kPa | Joback Calculated Property |
| Tboil | 524.17 | K | Relay (1.0) Calculated Property |
| Tc | 754.00 | K | Relay (1.0) Calculated Property |
| Tfus | 303.52 | K | Relay (1.0) Calculated Property |
| Vc | 0.415 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [264.31; 324.37] | J/mol×K | [570.92; 816.66] | 
|
| Cp,gas | 264.31 | J/mol×K | 570.92 | Joback Calculated Property |
| Cp,gas | 276.23 | J/mol×K | 611.88 | Joback Calculated Property |
| Cp,gas | 287.35 | J/mol×K | 652.83 | Joback Calculated Property |
| Cp,gas | 297.69 | J/mol×K | 693.79 | Joback Calculated Property |
| Cp,gas | 307.28 | J/mol×K | 734.75 | Joback Calculated Property |
| Cp,gas | 316.17 | J/mol×K | 775.71 | Joback Calculated Property |
| Cp,gas | 324.37 | J/mol×K | 816.66 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [337.70; 395.50] | K | [0.04; 2.10] |
|
| Tboilr | 337.70 | K | 0.04 | NIST |
| Tboilr | 395.50 ± 1.50 | K | 2.10 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [386.92; 548.04] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.47586e+01 | |||
| Coefficient B | -4.38436e+03 | |||
| Coefficient C | -8.39450e+01 | |||
| Temperature range, min. | 386.92 | |||
| Temperature range, max. | 548.04 | |||
| Pvap | 1.33 | kPa | 386.92 | Calculated Property |
| Pvap | 2.99 | kPa | 404.82 | Calculated Property |
| Pvap | 6.15 | kPa | 422.72 | Calculated Property |
| Pvap | 11.78 | kPa | 440.63 | Calculated Property |
| Pvap | 21.20 | kPa | 458.53 | Calculated Property |
| Pvap | 36.16 | kPa | 476.43 | Calculated Property |
| Pvap | 58.86 | kPa | 494.33 | Calculated Property |
| Pvap | 92.00 | kPa | 512.24 | Calculated Property |
| Pvap | 138.72 | kPa | 530.14 | Calculated Property |
| Pvap | 202.65 | kPa | 548.04 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,4-dimethyl-2-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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