- InChI
- InChI=1S/C8H7N/c1-7-5-3-4-6-8(7)9-2/h3-6H,1H3
- InChI Key
- HGHZICGHCZFYNX-UHFFFAOYSA-N
- Formula
- C8H7N
- SMILES
- [C-]#[N+]c1ccccc1C
- Molecular Weight1
- 117.15
- CAS
- 10468-64-1
- Other Names
-
- o-Tolyl isocyanide
- 2-Tolylisocyanide
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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° | 252.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 181.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.82 | kJ/mol | Joback Calculated Property |
| log10WS | -4.70 | Crippen Calculated Property | |
| logPoct/wat | 2.546 | Crippen Calculated Property | |
| McVol | 101.200 | ml/mol | McGowan Calculated Property |
| Pc | 3480.65 | kPa | Joback Calculated Property |
| Tboil | 516.18 | K | Joback Calculated Property |
| Tc | 749.09 | K | Joback Calculated Property |
| Tfus | 283.85 | K | Joback Calculated Property |
| Vc | 0.402 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [201.15; 252.23] | J/mol×K | [516.18; 749.09] | 
|
| Cp,gas | 201.15 | J/mol×K | 516.18 | Joback Calculated Property |
| Cp,gas | 211.18 | J/mol×K | 555.00 | Joback Calculated Property |
| Cp,gas | 220.58 | J/mol×K | 593.82 | Joback Calculated Property |
| Cp,gas | 229.35 | J/mol×K | 632.64 | Joback Calculated Property |
| Cp,gas | 237.53 | J/mol×K | 671.46 | Joback Calculated Property |
| Cp,gas | 245.15 | J/mol×K | 710.28 | Joback Calculated Property |
| Cp,gas | 252.23 | J/mol×K | 749.09 | Joback Calculated Property |
| ΔvapH | 48.50 | kJ/mol | 377.50 | NIST |
Similar Compounds
Find more compounds similar to Benzene, 1-isocyano-2-methyl-.
Sources
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