- InChI
- InChI=1S/C8H9NO2/c1-2-7-4-3-5-8(6-7)9(10)11/h3-6H,2H2,1H3
- InChI Key
- RXAKLPGKSXJZEF-UHFFFAOYSA-N
- Formula
- C8H9NO2
- SMILES
- CCc1cccc([N+](=O)[O-])c1
- Molecular Weight1
- 151.16
- CAS
- 7369-50-8
- Other Names
-
- Benzene, 1-ethyl-3-nitro-
- Nitrobenzene, 3-ethyl-
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 154.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 5.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.93 | kJ/mol | Joback Calculated Property |
| IE | 9.64 ± 0.03 | eV | NIST |
| log10WS | -2.93 | Crippen Calculated Property | |
| logPoct/wat | 2.157 | Crippen Calculated Property | |
| McVol | 117.240 | ml/mol | McGowan Calculated Property |
| Pc | 3637.73 | kPa | Joback Calculated Property |
| Tboil | [514.15; 515.70] | K |
|
| Tboil | 515.70 | K | NIST |
| Tboil | 514.15 ± 2.00 | K | NIST |
| Tc | 810.58 | K | Joback Calculated Property |
| Tfus | 362.47 | K | Joback Calculated Property |
| Vc | 0.458 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [265.21; 326.32] | J/mol×K | [565.94; 810.58] |
|
| Cp,gas | 265.21 | J/mol×K | 565.94 | Joback Calculated Property |
| Cp,gas | 277.45 | J/mol×K | 606.71 | Joback Calculated Property |
| Cp,gas | 288.81 | J/mol×K | 647.49 | Joback Calculated Property |
| Cp,gas | 299.33 | J/mol×K | 688.26 | Joback Calculated Property |
| Cp,gas | 309.07 | J/mol×K | 729.03 | Joback Calculated Property |
| Cp,gas | 318.05 | J/mol×K | 769.80 | Joback Calculated Property |
| Cp,gas | 326.32 | J/mol×K | 810.58 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [388.52; 546.64] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.49708e+01 | |||
| Coefficient B | -4.46398e+03 | |||
| Coefficient C | -8.45010e+01 | |||
| Temperature range, min. | 388.52 | |||
| Temperature range, max. | 546.64 | |||
| Pvap | 1.33 | kPa | 388.52 | Calculated Property |
| Pvap | 2.97 | kPa | 406.09 | Calculated Property |
| Pvap | 6.10 | kPa | 423.66 | Calculated Property |
| Pvap | 11.67 | kPa | 441.23 | Calculated Property |
| Pvap | 21.00 | kPa | 458.80 | Calculated Property |
| Pvap | 35.84 | kPa | 476.36 | Calculated Property |
| Pvap | 58.44 | kPa | 493.93 | Calculated Property |
| Pvap | 91.52 | kPa | 511.50 | Calculated Property |
| Pvap | 138.34 | kPa | 529.07 | Calculated Property |
| Pvap | 202.64 | kPa | 546.64 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Ethyl-3-nitrobenzene.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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