- InChI
- InChI=1S/C8H7N/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2
- InChI Key
- RIWNFZUWWRVGEU-UHFFFAOYSA-N
- Formula
- C8H7N
- SMILES
- [C-]#[N+]Cc1ccccc1
- Molecular Weight1
- 117.15
- CAS
- 10340-91-7
- Other Names
-
- Benzyl isocyanide
- Benzyl isonitrile
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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 |
|---|---|---|---|
| ΔcH°liquid | -4373.74 | kJ/mol | NIST |
| ΔfG° | 262.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 192.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.16 | kJ/mol | Joback Calculated Property |
| IE | [9.47; 9.61] | eV |
|
| IE | 9.61 ± 0.05 | eV | NIST |
| IE | 9.47 | eV | NIST |
| log10WS | -4.54 | Crippen Calculated Property | |
| logPoct/wat | 2.106 | Crippen Calculated Property | |
| McVol | 101.200 | ml/mol | McGowan Calculated Property |
| Pc | 3543.08 | kPa | Joback Calculated Property |
| Tboil | 511.20 | K | Joback Calculated Property |
| Tc | 742.87 | K | Joback Calculated Property |
| Tfus | 271.33 | K | Joback Calculated Property |
| Vc | 0.402 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [201.73; 254.23] | J/mol×K | [511.20; 742.87] |
|
| Cp,gas | 201.73 | J/mol×K | 511.20 | Joback Calculated Property |
| Cp,gas | 212.16 | J/mol×K | 549.81 | Joback Calculated Property |
| Cp,gas | 221.87 | J/mol×K | 588.42 | Joback Calculated Property |
| Cp,gas | 230.90 | J/mol×K | 627.04 | Joback Calculated Property |
| Cp,gas | 239.28 | J/mol×K | 665.65 | Joback Calculated Property |
| Cp,gas | 247.04 | J/mol×K | 704.26 | Joback Calculated Property |
| Cp,gas | 254.23 | J/mol×K | 742.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, (isocyanomethyl)-.
Sources
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