- InChI
- InChI=1S/C12H8ClNO3/c13-9-1-5-11(6-2-9)17-12-7-3-10(4-8-12)14(15)16/h1-8H
- InChI Key
- GDEZSMXXDMVYHT-UHFFFAOYSA-N
- Formula
- C12H8ClNO3
- SMILES
-
O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc
2)cc1 - Molecular Weight1
- 249.65
- CAS
- 1836-74-4
- Other Names
-
- p-Chlorophenyl p-nitrophenyl ether
- Ether, p-chlorophenyl p-nitrophenyl
- Ether, 4-chlorophenyl 4-nitrophenyl
- 4'-Chloro-4-nitrobiphenyl ether
- 1-Chloro-4-(4-nitrophenoxy)benzene
- 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).
- 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).
- 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° | 174.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 0.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.57 | kJ/mol | Joback Calculated Property |
| log10WS | -4.44 | Crippen Calculated Property | |
| logPoct/wat | 4.040 | Crippen Calculated Property | |
| McVol | 167.950 | ml/mol | McGowan Calculated Property |
| Pc | 3156.17 | kPa | Joback Calculated Property |
| Tboil | 748.97 | K | Joback Calculated Property |
| Tc | 1021.15 | K | Joback Calculated Property |
| Tfus | 498.64 | K | Joback Calculated Property |
| Vc | 0.640 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [417.27; 471.15] | J/mol×K | [748.97; 1021.15] | 
|
| Cp,gas | 417.27 | J/mol×K | 748.97 | Joback Calculated Property |
| Cp,gas | 429.04 | J/mol×K | 794.33 | Joback Calculated Property |
| Cp,gas | 439.61 | J/mol×K | 839.70 | Joback Calculated Property |
| Cp,gas | 449.05 | J/mol×K | 885.06 | Joback Calculated Property |
| Cp,gas | 457.42 | J/mol×K | 930.42 | Joback Calculated Property |
| Cp,gas | 464.76 | J/mol×K | 975.79 | Joback Calculated Property |
| Cp,gas | 471.15 | J/mol×K | 1021.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-chloro-4-(4-nitrophenoxy)-.
Sources
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