- InChI
- InChI=1S/C9H10N2/c1-11(2)9-5-3-4-8(6-9)7-10/h3-6H,1-2H3
- InChI Key
- FEOIEIQLXALHPJ-UHFFFAOYSA-N
- Formula
- C9H10N2
- SMILES
- CN(C)c1cccc(C#N)c1
- Molecular Weight1
- 146.19
- CAS
- 38803-30-4
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (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).
- 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 |
|---|---|---|---|
| PAff | 894.60 | kJ/mol | NIST |
| BasG | 868.10 | kJ/mol | NIST |
| ΔfG° | 371.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 228.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.09 | kJ/mol | Joback Calculated Property |
| log10WS | -1.73 | Crippen Calculated Property | |
| logPoct/wat | 1.624 | Crippen Calculated Property | |
| McVol | 125.270 | ml/mol | McGowan Calculated Property |
| Pc | 3110.57 | kPa | Joback Calculated Property |
| Tboil | 551.50 | K | Joback Calculated Property |
| Tc | 776.47 | K | Joback Calculated Property |
| Tfus | 327.59 | K | Joback Calculated Property |
| Vc | 0.475 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [276.92; 337.70] | J/mol×K | [551.50; 776.47] | 
|
| Cp,gas | 276.92 | J/mol×K | 551.50 | Joback Calculated Property |
| Cp,gas | 288.92 | J/mol×K | 588.99 | Joback Calculated Property |
| Cp,gas | 300.13 | J/mol×K | 626.49 | Joback Calculated Property |
| Cp,gas | 310.57 | J/mol×K | 663.98 | Joback Calculated Property |
| Cp,gas | 320.28 | J/mol×K | 701.48 | Joback Calculated Property |
| Cp,gas | 329.31 | J/mol×K | 738.97 | Joback Calculated Property |
| Cp,gas | 337.70 | J/mol×K | 776.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-(CH3)2NC6H4CN.
Sources
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