- InChI
- InChI=1S/C10H11N/c1-7-5-8(2)10(11-4)9(3)6-7/h5-6H,1-3H3
- InChI Key
- PNLRXQFLTHXBIT-UHFFFAOYSA-N
- Formula
- C10H11N
- SMILES
- [C-]#[N+]c1c(C)cc(C)cc1C
- Molecular Weight1
- 145.20
- CAS
- 57116-96-8
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation 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).
- 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°solid | -5608.20 ± 4.70 | kJ/mol | NIST |
| ΔfG° | 250.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 167.50 ± 4.90 | kJ/mol | NIST |
| ΔfH°solid | 101.00 ± 4.70 | kJ/mol | NIST |
| ΔfusH° | 16.04 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [66.40; 66.50] | kJ/mol |
|
| ΔsubH° | 66.40 ± 1.50 | kJ/mol | NIST |
| ΔsubH° | 66.50 | kJ/mol | NIST |
| ΔvapH° | 52.59 | kJ/mol | Joback Calculated Property |
| log10WS | -5.65 | Crippen Calculated Property | |
| logPoct/wat | 3.163 | Crippen Calculated Property | |
| McVol | 129.380 | ml/mol | McGowan Calculated Property |
| Pc | 2721.17 | kPa | Joback Calculated Property |
| Tboil | 571.90 | K | Joback Calculated Property |
| Tc | 798.39 | K | Joback Calculated Property |
| Tfus | 331.43 | K | Joback Calculated Property |
| Vc | 0.513 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [286.16; 346.88] | J/mol×K | [571.90; 798.39] |
|
| Cp,gas | 286.16 | J/mol×K | 571.90 | Joback Calculated Property |
| Cp,gas | 297.82 | J/mol×K | 609.65 | Joback Calculated Property |
| Cp,gas | 308.84 | J/mol×K | 647.40 | Joback Calculated Property |
| Cp,gas | 319.24 | J/mol×K | 685.14 | Joback Calculated Property |
| Cp,gas | 329.03 | J/mol×K | 722.89 | Joback Calculated Property |
| Cp,gas | 338.24 | J/mol×K | 760.64 | Joback Calculated Property |
| Cp,gas | 346.88 | J/mol×K | 798.39 | Joback Calculated Property |
| Cp,solid | 241.80 | J/mol×K | 298.15 | NIST |
Similar Compounds
Find more compounds similar to 2,4,6-Trimethylphenyl isocyanide.
Sources
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