- InChI
- InChI=1S/C9H14N2/c1-5-4-6(2)9(11)7(3)8(5)10/h4H,10-11H2,1-3H3
- InChI Key
- ZVDSMYGTJDFNHN-UHFFFAOYSA-N
- Formula
- C9H14N2
- SMILES
- Cc1cc(C)c(N)c(C)c1N
- Molecular Weight1
- 150.22
- CAS
- 3102-70-3
- Other Names
-
- 2,4,6-Trimethyl-m-phenylenediamine
- 1,3-Benzenediamine, 2,4,6-trimethyl-
- m-Phenylenediamine,2,4,6-trimethyl-
- 2,4-Mesitylenediamine
- 2,4-Diamino-1,3,5-trimethylbenzene
- 1,3-Diamino-2,4,6-trimethylbenzene
- 2,4,6-Trimethyl-1,3-benzenediamine
- 2,4,6-trimethylbenzene-1,3-diamine
- ω : Acentric Factor.
- 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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ω | 0.5944 | Relay (1.0) Calculated Property | |
| ΔfG° | 231.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 5.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.776 | Crippen Calculated Property | |
| McVol | 133.870 | ml/mol | McGowan Calculated Property |
| Pc | 3472.45 | kPa | Joback Calculated Property |
| Inp | 1318.00 | NIST | |
| Tboil | 552.03 | K | Relay (1.0) Calculated Property |
| Tc | 789.84 | K | Relay (1.0) Calculated Property |
| Tfus | 368.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.462 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [190.10; 424.90] | 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 | 3.09800e+01 | |||
| Coefficient B | 6.65760e-01 | |||
| Coefficient C | -3.15640e-04 | |||
| Coefficient D | 4.38000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 190.10 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 228.95 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 264.28 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 296.24 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 324.96 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 350.59 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 373.26 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 393.11 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 410.28 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 424.90 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,6-Trimethyl-1,3-phenylenediamine.
Sources
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