- InChI
- InChI=1S/C13H11NO2/c15-14(16)13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2
- InChI Key
- UPKQTNZSDMAYNO-UHFFFAOYSA-N
- Formula
- C13H11NO2
- SMILES
- O=[N+]([O-])c1ccccc1Cc1ccccc1
- Molecular Weight1
- 213.23
- CAS
- 5840-40-4
- Other Names
-
- Methane, (o-nitrophenyl)phenyl-
- o-Nitrodiphenylmethane
- 2-Nitrodiphenylmethane
- ω : Acentric Factor.
- 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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ω | 0.5627 | Relay (1.0) Calculated Property | |
| ΔfG° | 309.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 170.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.186 | Crippen Calculated Property | |
| McVol | 163.930 | ml/mol | McGowan Calculated Property |
| Pc | 3062.55 | kPa | Joback Calculated Property |
| Inp | [1785.80; 1820.00] |
|
|
| Inp | 1785.80 | NIST | |
| Inp | 1820.00 | NIST | |
| Inp | 1820.00 | NIST | |
| Tboil | 614.07 | K | Relay (1.0) Calculated Property |
| Tc | 881.05 | K | Relay (1.0) Calculated Property |
| Tfus | 311.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.578 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [423.97; 491.73] | J/mol×K | [707.02; 975.37] |
|
| Cp,gas | 423.97 | J/mol×K | 707.02 | Joback Calculated Property |
| Cp,gas | 438.23 | J/mol×K | 751.74 | Joback Calculated Property |
| Cp,gas | 451.16 | J/mol×K | 796.47 | Joback Calculated Property |
| Cp,gas | 462.88 | J/mol×K | 841.19 | Joback Calculated Property |
| Cp,gas | 473.48 | J/mol×K | 885.92 | Joback Calculated Property |
| Cp,gas | 483.06 | J/mol×K | 930.64 | Joback Calculated Property |
| Cp,gas | 491.73 | J/mol×K | 975.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-nitro-2-(phenylmethyl)-.
Sources
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