- InChI
- InChI=1S/C14H11N/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,15H2
- InChI Key
- BZDTZZOSIAUOBS-UHFFFAOYSA-N
- Formula
- C14H11N
- SMILES
- Nc1ccccc1C#Cc1ccccc1
- Molecular Weight1
- 193.24
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 551.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 435.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.77 | kJ/mol | Joback Calculated Property |
| log10WS | -3.52 | Crippen Calculated Property | |
| logPoct/wat | 2.669 | Crippen Calculated Property | |
| McVol | 161.980 | ml/mol | McGowan Calculated Property |
| Pc | 3468.36 | kPa | Joback Calculated Property |
| Inp | [1474.00; 1474.00] |
|
|
| Inp | 1474.00 | NIST | |
| Inp | 1474.00 | NIST | |
| Tboil | 659.59 | K | Joback Calculated Property |
| Tc | 938.38 | K | Joback Calculated Property |
| Tfus | 502.26 | K | Joback Calculated Property |
| Vc | 0.595 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [390.60; 464.94] | J/mol×K | [659.59; 938.38] |
|
| Cp,gas | 390.60 | J/mol×K | 659.59 | Joback Calculated Property |
| Cp,gas | 406.11 | J/mol×K | 706.06 | Joback Calculated Property |
| Cp,gas | 420.24 | J/mol×K | 752.52 | Joback Calculated Property |
| Cp,gas | 433.08 | J/mol×K | 798.99 | Joback Calculated Property |
| Cp,gas | 444.74 | J/mol×K | 845.45 | Joback Calculated Property |
| Cp,gas | 455.33 | J/mol×K | 891.92 | Joback Calculated Property |
| Cp,gas | 464.94 | J/mol×K | 938.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetylene, 1-(2-aminophenyl)-2-phenyl-.
Sources
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