- InChI
- InChI=1S/C14H11N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H
- InChI Key
- NEBPTMCRLHKPOB-UHFFFAOYSA-N
- Formula
- C14H11N
- SMILES
- N#CC(c1ccccc1)c1ccccc1
- Molecular Weight1
- 193.24
- CAS
- 86-29-3
- Other Names
-
- Acetonitrile, diphenyl-
- «alpha»-Phenylbenzylcyanide
- «alpha»-Phenylphenylacetonitrile
- Benzhydrylcyanide
- Dipan
- Diphenatrile
- Diphenyl-«alpha»-cyanomethane
- Diphenylacetonitrile
- Diphenylmethylcyanide
- USAF KF-13
- Benzyhydrylcyanide
- «alpha»-Cyanodiphenylmethane
- Difenylacetonitril
- alpha-Phenylbenzyl cyanide
- alpha-Phenylphenylacetonitrile
- Diphenyl-alpha-cyanomethane
- «alpha»-Phenyl-benzeneacetonitrile
- NSC 130268
- 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).
- 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 | 0.4635 | Relay (1.0) Calculated Property | |
| ΔfG° | 422.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 327.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.342 | Crippen Calculated Property | |
| McVol | 161.980 | ml/mol | McGowan Calculated Property |
| Pc | 2721.17 | kPa | Joback Calculated Property |
| Tboil | 572.13 | K | Relay (1.0) Calculated Property |
| Tc | 855.37 | K | Relay (1.0) Calculated Property |
| Tfus | 357.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.574 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [400.81; 469.28] | J/mol×K | [674.72; 932.92] | 
|
| Cp,gas | 400.81 | J/mol×K | 674.72 | Joback Calculated Property |
| Cp,gas | 415.07 | J/mol×K | 717.75 | Joback Calculated Property |
| Cp,gas | 428.07 | J/mol×K | 760.79 | Joback Calculated Property |
| Cp,gas | 439.89 | J/mol×K | 803.82 | Joback Calculated Property |
| Cp,gas | 450.64 | J/mol×K | 846.86 | Joback Calculated Property |
| Cp,gas | 460.40 | J/mol×K | 889.89 | Joback Calculated Property |
| Cp,gas | 469.28 | J/mol×K | 932.92 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 454.20 | K | 1.60 | NIST |
Similar Compounds
Find more compounds similar to Benzeneacetonitrile, «alpha»-phenyl-.
Sources
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