- InChI
- InChI=1S/C7H10N2/c1-5-2-3-6(8)7(9)4-5/h2-4H,8-9H2,1H3
- InChI Key
- DGRGLKZMKWPMOH-UHFFFAOYSA-N
- Formula
- C7H10N2
- SMILES
- Cc1ccc(N)c(N)c1
- Molecular Weight1
- 122.17
- CAS
- 496-72-0
- Other Names
-
- Toluene-3,4-diamine
- 1,2-Diamino-4-methylbenzene
- 3,4-Diamino-1-methylbenzene
- 3,4-Diaminotoluene
- 3,4-Toluenediamine
- 3,4-Toluylenediamine
- 3,4-Tolylenediamine
- 4-Methyl-o-phenylenediamine
- 4-Methyl-1,2-diaminobenzene
- 4-Methyl-1,2-phenylenediamine
- 4-Methyl-1,2-benzenediamine
- NSC 1495
- 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).
- Tboilr : Boiling point at reduced pressure (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° | 234.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 93.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.06 | kJ/mol | Joback Calculated Property |
| log10WS | -1.21 | Crippen Calculated Property | |
| logPoct/wat | 1.159 | Crippen Calculated Property | |
| McVol | 105.690 | ml/mol | McGowan Calculated Property |
| Pc | 4596.38 | kPa | Joback Calculated Property |
| Tboil | 538.20 | K | NIST |
| Tc | 781.39 | K | Joback Calculated Property |
| Tfus | 386.63 | K | Joback Calculated Property |
| Vc | 0.378 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [237.29; 294.05] | J/mol×K | [541.26; 781.39] | 
|
| Cp,gas | 237.29 | J/mol×K | 541.26 | Joback Calculated Property |
| Cp,gas | 248.42 | J/mol×K | 581.28 | Joback Calculated Property |
| Cp,gas | 258.84 | J/mol×K | 621.30 | Joback Calculated Property |
| Cp,gas | 268.59 | J/mol×K | 661.32 | Joback Calculated Property |
| Cp,gas | 277.69 | J/mol×K | 701.34 | Joback Calculated Property |
| Cp,gas | 286.17 | J/mol×K | 741.37 | Joback Calculated Property |
| Cp,gas | 294.05 | J/mol×K | 781.39 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 428.70 | K | 2.40 | NIST |
Similar Compounds
Find more compounds similar to 1,2-Benzenediamine, 4-methyl-.
Sources
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