- InChI
- InChI=1S/C12H7Cl2NO3/c13-8-1-6-12(11(14)7-8)18-10-4-2-9(3-5-10)15(16)17/h1-7H
- InChI Key
- XITQUSLLOSKDTB-UHFFFAOYSA-N
- Formula
- C12H7Cl2NO3
- SMILES
-
O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc
2Cl)cc1 - Molecular Weight1
- 284.10
- CAS
- 1836-75-5
- Other Names
-
- 2',4'-Dichloro-4-nitrodiphenyl ether
- 2,4-Dichloro-4'-Nitrodiphenyl ether
- 2,4-Dichlorophenyl 4-nitrophenyl ether
- 2,4-Dichlorophenyl p-nitrophenyl ether
- 4'-Nitro-2,4-dichlorodiphenyl ether
- 4-(2,4-Dichlorophenoxy)nitrobenzene
- 4-Nitro-2',4'-dichlorophenyl ether
- Benzene, 2,4-dichloro-1-(4-nitrophenoxy)-
- Ether, 2,4-dichlorophenyl p-nitrophenyl
- FW 925
- Mezotox
- NIP
- Niclofen
- Nitraphen
- Nitrochlor
- Nitrophen
- Nitrophene
- Preparation 125
- TOK
- TOK E
- TOK E 25
- TOK E 40
- Trizilin
- Trizilin 25
- 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).
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- ΔvapS : Entropy of vaporization at a given temperature (J/mol×K).
- 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° | 152.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -26.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.61 | kJ/mol | Joback Calculated Property |
| log10WS | [-5.46; -5.46] |
|
|
| log10WS | -5.46 | Aq. Sol... | |
| log10WS | -5.46 | Estimat... | |
| logPoct/wat | 4.694 | Crippen Calculated Property | |
| McVol | 180.190 | ml/mol | McGowan Calculated Property |
| Pc | 2979.54 | kPa | Joback Calculated Property |
| Inp | [2173.00; 2230.00] |
|
|
| Inp | 2173.00 | NIST | |
| Inp | 2230.00 | NIST | |
| Inp | 2173.00 | NIST | |
| I | [3353.00; 3353.00] |
|
|
| I | 3353.00 | NIST | |
| I | 3353.00 | NIST | |
| Tboil | 791.38 | K | Joback Calculated Property |
| Tc | 1065.45 | K | Joback Calculated Property |
| Tfus | [342.72; 344.70] | K |
|
| Tfus | 343.32 | K | Aq. Sol... |
| Tfus | 342.72 ± 0.20 | K | NIST |
| Tfus | 343.00 ± 1.00 | K | NIST |
| Tfus | 344.70 ± 0.20 | K | NIST |
| Vc | 0.690 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [435.12; 481.28] | J/mol×K | [791.38; 1065.45] |
|
| Cp,gas | 435.12 | J/mol×K | 791.38 | Joback Calculated Property |
| Cp,gas | 445.46 | J/mol×K | 837.06 | Joback Calculated Property |
| Cp,gas | 454.67 | J/mol×K | 882.74 | Joback Calculated Property |
| Cp,gas | 462.81 | J/mol×K | 928.41 | Joback Calculated Property |
| Cp,gas | 469.92 | J/mol×K | 974.09 | Joback Calculated Property |
| Cp,gas | 476.06 | J/mol×K | 1019.77 | Joback Calculated Property |
| Cp,gas | 481.28 | J/mol×K | 1065.45 | Joback Calculated Property |
| ΔfusH | [2.70; 22.96] | kJ/mol | [342.00; 343.00] |
|
| ΔfusH | 22.96 | kJ/mol | 342.00 | NIST |
| ΔfusH | 2.70 | kJ/mol | 343.00 | NIST |
| ΔvapH | [90.40; 115.90] | kJ/mol | [365.50; 643.00] |
|
| ΔvapH | 90.40 | kJ/mol | 365.50 | NIST |
| ΔvapH | 115.90 | kJ/mol | 643.00 | NIST |
| ΔfusS | 7.87 | J/mol×K | 343.00 | NIST |
| ΔvapS | 180.20 | J/mol×K | 643.00 | NIST |
Similar Compounds
Find more compounds similar to Nitrofen.
Sources
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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