- InChI
- InChI=1S/C15H10N2/c1-16-14-7-3-12(4-8-14)11-13-5-9-15(17-2)10-6-13/h3-10H,11H2
- InChI Key
- SYRYWPVKZTYAFV-UHFFFAOYSA-N
- Formula
- C15H10N2
- SMILES
-
[C-]#[N+]c1ccc(Cc2ccc([N+]#[C-
])cc2)cc1 - Molecular Weight1
- 218.25
- CAS
- 956-62-7
- Other Names
-
- Phenyl isocyanide, 4,4'-methylenebis-
- Benzene, 1,1'-methylenebis*4-isocyano-
- 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).
- 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 | 0.4687 | Relay (1.0) Calculated Property | |
| ΔfG° | 547.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 502.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.379 | Crippen Calculated Property | |
| McVol | 177.450 | ml/mol | McGowan Calculated Property |
| Pc | 2320.31 | kPa | Joback Calculated Property |
| Tboil | 619.07 | K | Relay (1.0) Calculated Property |
| Tc | 835.32 | K | Relay (1.0) Calculated Property |
| Tfus | 385.64 | K | Relay (1.0) Calculated Property |
| Vc | 0.600 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [462.35; 513.92] | J/mol×K | [810.08; 1068.09] | 
|
| Cp,gas | 462.35 | J/mol×K | 810.08 | Joback Calculated Property |
| Cp,gas | 473.10 | J/mol×K | 853.08 | Joback Calculated Property |
| Cp,gas | 482.88 | J/mol×K | 896.08 | Joback Calculated Property |
| Cp,gas | 491.78 | J/mol×K | 939.09 | Joback Calculated Property |
| Cp,gas | 499.87 | J/mol×K | 982.09 | Joback Calculated Property |
| Cp,gas | 507.23 | J/mol×K | 1025.09 | Joback Calculated Property |
| Cp,gas | 513.92 | J/mol×K | 1068.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,1'-methylenebis[4-isocyano-.
Sources
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