- InChI
- InChI=1S/C13H11N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,14H
- InChI Key
- SXZIXHOMFPUIRK-UHFFFAOYSA-N
- Formula
- C13H11N
- SMILES
- N=C(c1ccccc1)c1ccccc1
- Molecular Weight1
- 181.23
- CAS
- 1013-88-3
- Other Names
-
- Benzophenone imine
- 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).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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 |
|---|---|---|---|
| ω | 0.5574 | Relay (1.0) Calculated Property | |
| ΔfG° | 487.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 219.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 75.70 ± 1.00 | kJ/mol | NIST |
| IE | 8.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.103 | Crippen Calculated Property | |
| McVol | 152.190 | ml/mol | McGowan Calculated Property |
| Pc | 3877.62 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 596.98 | K | Relay (1.0) Calculated Property |
| Tc | 858.13 | K | Relay (1.0) Calculated Property |
| Tfus | 331.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.546 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [62.30; 74.20] | kJ/mol | [323.00; 397.50] | 
|
| ΔvapH | 74.20 ± 1.00 | kJ/mol | 323.00 | NIST |
| ΔvapH | 62.30 | kJ/mol | 397.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 425.20 | K | 1.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [166.68; 462.04] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -9.82400e+01 | |||
| Coefficient B | 1.18988e+00 | |||
| Coefficient C | -8.69400e-04 | |||
| Coefficient D | 2.39800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 166.68 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 224.52 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 274.33 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 316.88 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 352.92 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 383.21 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 408.51 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 429.57 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 447.16 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 462.04 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzenemethanimine, «alpha»-phenyl-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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