- InChI
- InChI=1S/C8H9NO2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3
- InChI Key
- HFZKOYWDLDYELC-UHFFFAOYSA-N
- Formula
- C8H9NO2
- SMILES
- Cc1ccc([N+](=O)[O-])cc1C
- Molecular Weight1
- 151.16
- CAS
- 99-51-4
- Other Names
-
- 1,2-Dimethyl-4-nitrobenzene
- 3,4-Dimethyl-1-nitrobenzene
- 3,4-Dimethylnitrobenzene
- 4-Nitro-1,2-dimethylbenzene
- 4-Nitro-o-xylene
- o-Xylene, 4-nitro-
- p-Nitro-o-xylene
- para-Nitro-ortho-xylene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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 |
|---|---|---|---|
| EA | 0.92 ± 0.05 | eV | NIST |
| ΔfG° | 145.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -5.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.59 | kJ/mol | Joback Calculated Property |
| log10WS | -3.07 | Crippen 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 | 570.92 | K | Joback Calculated Property |
| Tc | 816.66 | K | Joback Calculated Property |
| Tfus | 301.70 ± 1.00 | K | NIST |
| Vc | 0.458 | m3/kmol | Joback 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 |
| ΔvapH | 63.60 | kJ/mol | 467.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 416.20 | K | 2.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [395.32; 545.08] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.56588e+01 | |||
| Coefficient B | -4.74134e+03 | |||
| Coefficient C | -8.68640e+01 | |||
| Temperature range, min. | 395.32 | |||
| Temperature range, max. | 545.08 | |||
| Pvap | 1.33 | kPa | 395.32 | Calculated Property |
| Pvap | 2.93 | kPa | 411.96 | Calculated Property |
| Pvap | 5.96 | kPa | 428.60 | Calculated Property |
| Pvap | 11.34 | kPa | 445.24 | Calculated Property |
| Pvap | 20.40 | kPa | 461.88 | Calculated Property |
| Pvap | 34.91 | kPa | 478.52 | Calculated Property |
| Pvap | 57.18 | kPa | 495.16 | Calculated Property |
| Pvap | 90.11 | kPa | 511.80 | Calculated Property |
| Pvap | 137.20 | kPa | 528.44 | Calculated Property |
| Pvap | 202.63 | kPa | 545.08 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,2-dimethyl-4-nitro-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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