- InChI
- InChI=1S/C7H10N2/c1-5-2-3-6(8)4-7(5)9/h2-4H,8-9H2,1H3
- InChI Key
- VOZKAJLKRJDJLL-UHFFFAOYSA-N
- Formula
- C7H10N2
- SMILES
- Cc1ccc(N)cc1N
- Molecular Weight1
- 122.17
- CAS
- 95-80-7
- Other Names
-
- 1,3-Diamino-4-methylbenzene
- 1,3-benzenediamine, 4-methyl
- 2,4-Diamino-1-methylbenzene
- 2,4-Diamino-1-toluene
- 2,4-Diaminotoluen
- 2,4-Diaminotoluol
- 2,4-Tolamine
- 2,4-Tolylenediamine
- 2,4-diaminotoluene
- 2,4-toluenediamine
- 3-Amino-p-toluidine
- 4-Methyl-1,3-benzenediamine
- 4-Methyl-m-phenylenediamine
- 4-m-Tolylenediamine
- 4-methyl-1,3-benzendiamine
- 4-methyl-1,3-phenylenediamine
- 5-Amino-o-toluidine
- Benzofur MT
- Brown for Fur T
- C.I. Oxidation Base 35
- C.I. Oxidation base 200
- Developer 14
- Developer B
- Developer DB
- Developer DBJ
- Developer MC
- Developer MT
- Developer MT-CF
- Developer MTD
- Developer T
- Eucanine GB
- Fouramine J
- Fourrine 94
- Fourrine M
- NCI-C02302
- Nako TMT
- Pelagol Grey J
- Pelagol J
- Pontamine Developer TN
- Rcra waste number U221
- Renal MD
- TDA
- Tertral G
- Toluenediamine
- Tolylene-2,4-diamine
- UN 1709
- Zoba GKE
- Zogen developer H
- m-Toluenediamine
- m-Toluylendiamin
- m-Toluylenediamine
- m-Tolylenediamine
- toluene-2,4-diamine
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5556 | Relay (1.0) Calculated Property | |
| ΔfH°gas | 64.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.56 | Relay (1.0) 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 | [557.20; 565.20] | K |
|
| Tboil | 557.20 | K | NIST |
| Tboil | 565.20 | K | NIST |
| Tc | 796.45 | K | Relay (1.0) Calculated Property |
| Tfus | 352.29 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 67.70 | kJ/mol | 466.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 422.70 | K | 1.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [142.57; 327.80] | 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 | 4.20000e+00 | |||
| Coefficient B | 5.94720e-01 | |||
| Coefficient C | -3.40920e-04 | |||
| Coefficient D | 6.98000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 142.57 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 175.02 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 203.99 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 229.69 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 252.36 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 272.20 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 289.45 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 304.32 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 317.03 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 327.80 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [424.29; 588.95] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.55061e+01 | |||
| Coefficient B | -5.08502e+03 | |||
| Coefficient C | -9.01600e+01 | |||
| Temperature range, min. | 424.29 | |||
| Temperature range, max. | 588.95 | |||
| Pvap | 1.33 | kPa | 424.29 | Calculated Property |
| Pvap | 2.94 | kPa | 442.59 | Calculated Property |
| Pvap | 5.99 | kPa | 460.88 | Calculated Property |
| Pvap | 11.41 | kPa | 479.18 | Calculated Property |
| Pvap | 20.53 | kPa | 497.47 | Calculated Property |
| Pvap | 35.11 | kPa | 515.77 | Calculated Property |
| Pvap | 57.45 | kPa | 534.06 | Calculated Property |
| Pvap | 90.40 | kPa | 552.36 | Calculated Property |
| Pvap | 137.44 | kPa | 570.65 | Calculated Property |
| Pvap | 202.63 | kPa | 588.95 | Calculated Property |
| Pvap | [0.08; 4244.22] | kPa | [371.25; 804.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 7.89998e+01 | |||
| Coefficient B | -1.15775e+04 | |||
| Coefficient C | -8.54954e+00 | |||
| Coefficient D | 1.46401e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 371.25 | |||
| Temperature range, max. | 804.00 | |||
| Pvap | 0.08 | kPa | 371.25 | Calculated Property |
| Pvap | 1.02 | kPa | 419.33 | Calculated Property |
| Pvap | 7.35 | kPa | 467.42 | Calculated Property |
| Pvap | 34.37 | kPa | 515.50 | Calculated Property |
| Pvap | 117.53 | kPa | 563.58 | Calculated Property |
| Pvap | 318.73 | kPa | 611.67 | Calculated Property |
| Pvap | 725.12 | kPa | 659.75 | Calculated Property |
| Pvap | 1441.19 | kPa | 707.83 | Calculated Property |
| Pvap | 2578.01 | kPa | 755.92 | Calculated Property |
| Pvap | 4244.22 | kPa | 804.00 | Calculated Property |
| Pvap | [0.13; 100.58] | kPa | [379.70; 553.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.79372e+01 | |||
| Coefficient B | -6.95793e+03 | |||
| Coefficient C | -3.08790e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 379.70 | |||
| Temperature range, max. | 553.00 | |||
| Pvap | 0.13 | kPa | 379.70 | Calculated Property |
| Pvap | 0.38 | kPa | 398.96 | Calculated Property |
| Pvap | 0.97 | kPa | 418.21 | Calculated Property |
| Pvap | 2.28 | kPa | 437.47 | Calculated Property |
| Pvap | 4.94 | kPa | 456.72 | Calculated Property |
| Pvap | 10.02 | kPa | 475.98 | Calculated Property |
| Pvap | 19.17 | kPa | 495.23 | Calculated Property |
| Pvap | 34.80 | kPa | 514.49 | Calculated Property |
| Pvap | 60.38 | kPa | 533.74 | Calculated Property |
| Pvap | 100.58 | kPa | 553.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Benzenediamine, 4-methyl-.
Mixtures
- 1,3-Benzenediamine, 4-methyl- + Water
- 1,3-Benzenediamine, 4-methyl- + Ethanol
- 1-Propanol + 1,3-Benzenediamine, 4-methyl-
- 1,3-Benzenediamine, 4-methyl- + 1-Butanol
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Densities and Viscosities of Diaminotoluene with Water, Ethanol, Propan-1-ol, and Butan-1-ol from (293.15 to 333.15) K
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.