- InChI
- InChI=1S/C6H4ClNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H
- InChI Key
- BFCFYVKQTRLZHA-UHFFFAOYSA-N
- Formula
- C6H4ClNO2
- SMILES
- O=[N+]([O-])c1ccccc1Cl
- Molecular Weight1
- 157.55
- CAS
- 88-73-3
- Other Names
-
- 1-Chloro-2-Nitrobenzene
- 1-Nitro-2-chlorobenzene
- 2-Chloro-1-nitrobenzene
- 2-Chloronitrobenzene
- 2-Nitro-1-chlorobenzene
- 2-Nitrochlorobenzene
- Chloro-o-nitrobenzene
- NSC 36934
- Nitrochlorobenzene, o-
- Nitrochlorobenzene, ortho
- O-NITROPHENYL CHLORIDE
- ONCB
- o-Chloronitrobenzene
- o-Nitrochlorobenzene
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- 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).
- 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).
- NFPA Fire : NFPA Fire Rating.
- NFPA Health : NFPA Health Rating.
- NFPA Safety : NFPA Safety Rating.
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 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 | -2923.30 ± 2.50 | kJ/mol | NIST |
| EA | [1.11; 1.34] | eV |
|
| EA | 1.16 ± 0.10 | eV | NIST |
| EA | 1.11 ± 0.05 | eV | NIST |
| EA | 1.34 ± 0.05 | eV | NIST |
| ΔfG° | 126.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 31.39 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | -32.90 | kJ/mol | NIST |
| ΔfusH° | 18.11 | kJ/mol | Heat Ca... |
| ΔsubH° | [80.80; 80.90] | kJ/mol |
|
| ΔsubH° | 80.90 ± 1.50 | kJ/mol | NIST |
| ΔsubH° | 80.80 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 60.40 ± 0.30 | kJ/mol | NIST |
| log10WS | [-2.55; -2.55] |
|
|
| log10WS | -2.55 | Aq. Sol... | |
| log10WS | -2.55 | Estimat... | |
| logPoct/wat | 2.248 | Crippen Calculated Property | |
| McVol | 101.300 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 1 | KDB | |
| NFPA Health | 3 | KDB | |
| NFPA Safety | 1 | KDB | |
| Pc | 4426.72 | kPa | Joback Calculated Property |
| Inp | [213.00; 1241.00] |
|
|
| Inp | 1241.00 | NIST | |
| Inp | 1195.00 | NIST | |
| Inp | 1193.00 | NIST | |
| Inp | 1199.00 | NIST | |
| Inp | 213.00 | NIST | |
| I | [1946.00; 1964.00] |
|
|
| I | 1946.00 | NIST | |
| I | 1964.00 | NIST | |
| I | 1946.00 | NIST | |
| Tboil | [519.15; 519.20] | K |
|
| Tboil | 519.20 | K | NIST |
| Tboil | 519.15 ± 0.60 | K | NIST |
| Tc | 817.38 | K | Joback Calculated Property |
| Tfus | [305.15; 306.03] | K |
|
| Tfus | 306.03 | K | Aq. Sol... |
| Tfus | 305.28 ± 0.07 | K | NIST |
| Tfus | 305.28 ± 0.05 | K | NIST |
| Tfus | 306.00 ± 1.50 | K | NIST |
| Tfus | 305.15 ± 0.15 | K | NIST |
| Tfus | 305.70 ± 1.50 | K | NIST |
| Vc | 0.395 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [200.06; 243.57] | J/mol×K | [557.61; 817.38] |
|
| Cp,gas | 200.06 | J/mol×K | 557.61 | Joback Calculated Property |
| Cp,gas | 209.08 | J/mol×K | 600.91 | Joback Calculated Property |
| Cp,gas | 217.33 | J/mol×K | 644.20 | Joback Calculated Property |
| Cp,gas | 224.86 | J/mol×K | 687.50 | Joback Calculated Property |
| Cp,gas | 231.72 | J/mol×K | 730.79 | Joback Calculated Property |
| Cp,gas | 237.94 | J/mol×K | 774.09 | Joback Calculated Property |
| Cp,gas | 243.57 | J/mol×K | 817.38 | Joback Calculated Property |
| ΔfusH | [18.11; 19.08] | kJ/mol | [305.80; 308.20] |
|
| ΔfusH | 18.11 | kJ/mol | 305.80 | NIST |
| ΔfusH | 18.21 | kJ/mol | 305.80 | NIST |
| ΔfusH | 19.08 | kJ/mol | 308.20 | NIST |
| ΔvapH | 52.10 | kJ/mol | 468.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 392.20 | K | 1.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [389.94; 550.26] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.50943e+01 | |||
| Coefficient B | -4.62238e+03 | |||
| Coefficient C | -7.77630e+01 | |||
| Temperature range, min. | 389.94 | |||
| Temperature range, max. | 550.26 | |||
| Pvap | 1.33 | kPa | 389.94 | Calculated Property |
| Pvap | 2.96 | kPa | 407.75 | Calculated Property |
| Pvap | 6.07 | kPa | 425.57 | Calculated Property |
| Pvap | 11.61 | kPa | 443.38 | Calculated Property |
| Pvap | 20.88 | kPa | 461.19 | Calculated Property |
| Pvap | 35.66 | kPa | 479.01 | Calculated Property |
| Pvap | 58.20 | kPa | 496.82 | Calculated Property |
| Pvap | 91.25 | kPa | 514.63 | Calculated Property |
| Pvap | 138.12 | kPa | 532.45 | Calculated Property |
| Pvap | 202.64 | kPa | 550.26 | Calculated Property |
| Pvap | [5.53e-03; 3908.14] | kPa | [306.15; 757.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.11244e+02 | |||
| Coefficient B | -1.20614e+04 | |||
| Coefficient C | -1.35369e+01 | |||
| Coefficient D | 4.71347e-06 | |||
| Temperature range, min. | 306.15 | |||
| Temperature range, max. | 757.00 | |||
| Pvap | 5.53e-03 | kPa | 306.15 | Calculated Property |
| Pvap | 0.21 | kPa | 356.24 | Calculated Property |
| Pvap | 2.77 | kPa | 406.34 | Calculated Property |
| Pvap | 18.32 | kPa | 456.43 | Calculated Property |
| Pvap | 76.65 | kPa | 506.53 | Calculated Property |
| Pvap | 234.31 | kPa | 556.62 | Calculated Property |
| Pvap | 574.75 | kPa | 606.72 | Calculated Property |
| Pvap | 1205.37 | kPa | 656.81 | Calculated Property |
| Pvap | 2259.48 | kPa | 706.91 | Calculated Property |
| Pvap | 3908.14 | kPa | 757.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-chloro-2-nitro-.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Heat Capacities of Chloroanilines and Chloronitrobenzenes
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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