- InChI
- InChI=1S/C13H11NO3/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9H,10H2
- InChI Key
- YOVUXLHIVNBVKO-UHFFFAOYSA-N
- Formula
- C13H11NO3
- SMILES
-
O=[N+]([O-])c1ccc(OCc2ccccc2)c
c1 - Molecular Weight1
- 229.23
- CAS
- 1145-76-2
- Other Names
-
- Benzyl p-nitrophenyl ether
- Ether, benzyl p-nitrophenyl
- 4-Benzyloxynitrobenzene
- Nitrobenzene, 4-(phenylmethoxy)-
- Benzyl 4-nitrophenyl ether
- p-(benzyloxy)nitrobenzene
- 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).
- 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° | 204.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 6.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.75 | kJ/mol | Joback Calculated Property |
| IE | 9.10 | eV | NIST |
| log10WS | -4.35 | Crippen Calculated Property | |
| logPoct/wat | 3.174 | Crippen Calculated Property | |
| McVol | 169.800 | ml/mol | McGowan Calculated Property |
| Pc | 3005.73 | kPa | Joback Calculated Property |
| Tboil | 729.44 | K | Joback Calculated Property |
| Tc | 992.73 | K | Joback Calculated Property |
| Tfus | 467.47 | K | Joback Calculated Property |
| Vc | 0.647 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [448.48; 513.41] | J/mol×K | [729.44; 992.73] | 
|
| Cp,gas | 448.48 | J/mol×K | 729.44 | Joback Calculated Property |
| Cp,gas | 462.29 | J/mol×K | 773.32 | Joback Calculated Property |
| Cp,gas | 474.81 | J/mol×K | 817.20 | Joback Calculated Property |
| Cp,gas | 486.12 | J/mol×K | 861.09 | Joback Calculated Property |
| Cp,gas | 496.27 | J/mol×K | 904.97 | Joback Calculated Property |
| Cp,gas | 505.35 | J/mol×K | 948.85 | Joback Calculated Property |
| Cp,gas | 513.41 | J/mol×K | 992.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-nitro-4-(phenylmethoxy)-.
Sources
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