- InChI
- InChI=1S/C8H12N2/c1-5-3-4-7(9)8(10)6(5)2/h3-4H,9-10H2,1-2H3
- InChI Key
- MHQULXYNBKWNDF-UHFFFAOYSA-N
- Formula
- C8H12N2
- SMILES
- Cc1ccc(N)c(N)c1C
- Molecular Weight1
- 136.20
- Other Names
-
- 1,2-Benzenediamine, 3,4-dimethyl-
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5614 | Relay (1.0) Calculated Property | |
| ΔfH°gas | 46.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.16 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.468 | Crippen Calculated Property | |
| McVol | 119.780 | ml/mol | McGowan Calculated Property |
| Pc | 3975.52 | kPa | Joback Calculated Property |
| Tboil | 549.85 | K | Relay (1.0) Calculated Property |
| Tc | 800.21 | K | Relay (1.0) Calculated Property |
| Tfus | 383.50 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [166.33; 376.35] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.75900e+01 | |||
| Coefficient B | 6.30240e-01 | |||
| Coefficient C | -3.28280e-04 | |||
| Coefficient D | 5.68000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 166.33 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 201.98 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 234.13 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 262.97 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 288.66 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 311.40 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 331.35 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 348.71 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 363.65 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 376.35 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Dimethyl-o-phenylenediamine.
Sources
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