- InChI
- InChI=1S/C7H9N/c1-6-2-4-7(8)5-3-6/h2-5H,8H2,1H3
- InChI Key
- RZXMPPFPUUCRFN-UHFFFAOYSA-N
- Formula
- C7H9N
- SMILES
- Cc1ccc(N)cc1
- Molecular Weight1
- 107.15
- CAS
- 106-49-0
- Other Names
-
- 1-Amino-4-methylbenzene
- 4-Amino-1-methylbenzene
- 4-Aminotoluen
- 4-METHYLBENZENEAMINE
- 4-Tolylamine
- 4-aminotoluene
- 4-methylaniline
- 4-methylbenzenamine
- 4-methylphenylamine
- 4-toluidine
- Aniline, p-methyl-
- Benzenamine, 4-methyl-
- C.I. 37107
- C.I. Azoic coupling component 107
- NSC 15350
- Naphtol AS-KG
- Naphtol AS-KGLL
- Rcra waste number U353
- aniline, 4-methyl-
- benzeneamine, 4-methyl-
- p-Methylaniline
- p-Methylbenzenamine
- p-Toluidin
- p-Tolylamine
- p-toluidine
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- μ : Dipole Moment (debye).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation 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).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- 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.
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 | 0.4430 | KDB | |
| PAff | 896.70 | kJ/mol | NIST |
| BasG | 864.80 | kJ/mol | NIST |
| ΔcH°liquid | [-4061.40; -4059.00] | kJ/mol |
|
| ΔcH°liquid | -4059.00 | kJ/mol | NIST |
| ΔcH°liquid | -4061.40 | kJ/mol | NIST |
| μ | 1.60 | debye | KDB |
| ΔfG° | 177.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [41.80; 62.20] | kJ/mol |
|
| ΔfH°gas | 41.80 | kJ/mol | NIST |
| ΔfH°gas | 62.20 | kJ/mol | NIST |
| ΔfH°liquid | 19.00 | kJ/mol | NIST |
| ΔfusH° | 12.73 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [76.20; 78.80] | kJ/mol |
|
| ΔsubH° | 76.20 ± 0.30 | kJ/mol | NIST |
| ΔsubH° | 78.80 ± 0.50 | kJ/mol | NIST |
| ΔvapH° | [43.18; 62.10] | kJ/mol |
|
| ΔvapH° | 57.80 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 43.18 | kJ/mol | NIST |
| ΔvapH° | 62.10 | kJ/mol | NIST |
| ΔvapH° | 55.90 | kJ/mol | NIST |
| IE | [7.24; 7.85] | eV |
|
| IE | 7.37 | eV | NIST |
| IE | Outlier 7.24 ± 0.02 | eV | NIST |
| IE | 7.60 ± 0.10 | eV | NIST |
| IE | 7.60 ± 0.10 | eV | NIST |
| IE | 7.58 | eV | NIST |
| IE | 7.65 | eV | NIST |
| IE | 7.81 | eV | NIST |
| IE | 7.85 ± 0.05 | eV | NIST |
| IE | 7.62 | eV | NIST |
| IE | 7.78 | eV | NIST |
| log10WS | [-1.21; -1.21] |
|
|
| log10WS | -1.21 | Aq. Solubility Prediction | |
| log10WS | -1.21 | Estimated Solubility | |
| logPoct/wat | 1.577 | Crippen Calculated Property | |
| McVol | 95.710 | ml/mol | McGowan Calculated Property |
| Pc | [2381.14; 4580.00] | kPa |
|
| Pc | 4580.00 | kPa | KDB |
| Pc | 2381.14 ± 202.65 | kPa | NIST |
| Inp | [176.89; 1092.00] |
|
|
| Inp | 1092.00 | NIST | |
| Inp | 1092.00 | NIST | |
| Inp | 1042.10 | NIST | |
| Inp | 1068.00 | NIST | |
| Inp | 1073.00 | NIST | |
| Inp | 1068.00 | NIST | |
| Inp | 1056.50 | NIST | |
| Inp | 1037.00 | NIST | |
| Inp | Outlier 176.89 | NIST | |
| Inp | 1042.10 | NIST | |
| I | [1822.00; 1839.00] |
|
|
| I | 1828.90 | NIST | |
| I | 1822.00 | NIST | |
| I | 1825.00 | NIST | |
| I | 1839.00 | NIST | |
| I | 1833.90 | NIST | |
| I | 1836.10 | NIST | |
| I | 1822.00 | NIST | |
| I | 1822.00 | NIST | |
| I | 1828.90 | NIST | |
| I | 1836.10 | NIST | |
| Tboil | [473.45; 475.70] | K |
|
| Tboil | 473.57 | K | KDB |
| Tboil | 473.70 | K | NIST |
| Tboil | Outlier 475.70 ± 1.00 | K | NIST |
| Tboil | 473.70 ± 0.30 | K | NIST |
| Tboil | 473.65 ± 0.30 | K | NIST |
| Tboil | 473.70 ± 0.30 | K | NIST |
| Tboil | 473.65 ± 0.30 | K | NIST |
| Tboil | 473.50 ± 0.20 | K | NIST |
| Tboil | 473.45 ± 0.60 | K | NIST |
| Tboil | 473.65 ± 0.50 | K | NIST |
| Tc | [667.15; 706.00] | K |
|
| Tc | 706.00 | K | KDB |
| Tc | 667.15 ± 2.00 | K | NIST |
| Tfus | [313.30; 318.70] | K |
|
| Tfus | 316.90 | K | KDB |
| Tfus | 316.80 | K | Aq. Solubility Prediction |
| Tfus | 317.00 ± 0.20 | K | NIST |
| Tfus | 318.70 ± 0.20 | K | NIST |
| Tfus | 316.95 ± 0.30 | K | NIST |
| Tfus | 316.85 ± 0.40 | K | NIST |
| Tfus | 318.00 ± 1.50 | K | NIST |
| Tfus | 316.40 ± 2.00 | K | NIST |
| Tfus | 317.15 ± 0.50 | K | NIST |
| Tfus | 317.40 ± 0.60 | K | NIST |
| Tfus | 316.90 ± 0.10 | K | NIST |
| Tfus | 316.70 ± 0.50 | K | NIST |
| Tfus | 316.15 ± 0.50 | K | NIST |
| Tfus | 316.55 ± 0.40 | K | NIST |
| Tfus | 316.80 ± 0.40 | K | NIST |
| Tfus | 316.65 ± 0.50 | K | NIST |
| Tfus | 316.65 ± 0.30 | K | NIST |
| Tfus | 316.15 ± 0.30 | K | NIST |
| Tfus | 316.85 ± 0.30 | K | NIST |
| Tfus | 318.15 ± 1.50 | K | NIST |
| Tfus | 318.15 ± 1.00 | K | NIST |
| Tfus | 318.00 ± 1.50 | K | NIST |
| Tfus | 316.55 ± 0.50 | K | NIST |
| Tfus | Outlier 313.30 ± 0.05 | K | NIST |
| Tfus | 315.95 ± 0.50 | K | NIST |
| Tfus | 318.15 ± 1.50 | K | NIST |
| Tfus | 315.60 ± 1.00 | K | NIST |
| Tfus | 318.15 ± 1.50 | K | NIST |
| Vc | 0.329 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,solid | [124.30; 165.20] | J/mol×K | [293.00; 298.15] |
|
| Cp,solid | 124.30 | J/mol×K | 293.00 | NIST |
| Cp,solid | 165.20 | J/mol×K | 298.15 | NIST |
| ΔfusH | [17.19; 18.90] | kJ/mol | [315.60; 317.00] |
|
| ΔfusH | 17.28 | kJ/mol | 315.60 | NIST |
| ΔfusH | 17.28 | kJ/mol | 315.60 | NIST |
| ΔfusH | 17.89 | kJ/mol | 316.50 | NIST |
| ΔfusH | 17.89 | kJ/mol | 316.50 | NIST |
| ΔfusH | 17.30 | kJ/mol | 316.55 | NIST |
| ΔfusH | 17.30 | kJ/mol | 316.60 | NIST |
| ΔfusH | 18.90 | kJ/mol | 316.90 | NIST |
| ΔfusH | 17.19 | kJ/mol | 317.00 | NIST |
| ΔvapH | [51.10; 54.90] | kJ/mol | [394.00; 433.50] |
|
| ΔvapH | 54.90 | kJ/mol | 394.00 | NIST |
| ΔvapH | 51.10 | kJ/mol | 433.50 | NIST |
| ρl | 964.00 | kg/m3 | 323.00 | KDB |
| ΔfusS | 55.00 | J/mol×K | 316.55 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [119.65; 294.87] | 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 | -1.65900e+01 | |||
| Coefficient B | 5.92320e-01 | |||
| Coefficient C | -3.64560e-04 | |||
| Coefficient D | 8.37000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 119.65 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 151.04 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 178.83 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 203.29 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 224.68 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 243.27 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 259.32 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 273.09 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 284.85 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 294.87 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.15; 202.67] | kPa | [316.90; 503.47] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.47492e+01 | |||
| Coefficient B | -4.06450e+03 | |||
| Coefficient C | -7.28020e+01 | |||
| Temperature range, min. | 316.90 | |||
| Temperature range, max. | 503.47 | |||
| Pvap | 0.15 | kPa | 316.90 | Calculated Property |
| Pvap | 0.55 | kPa | 337.63 | Calculated Property |
| Pvap | 1.67 | kPa | 358.36 | Calculated Property |
| Pvap | 4.39 | kPa | 379.09 | Calculated Property |
| Pvap | 10.18 | kPa | 399.82 | Calculated Property |
| Pvap | 21.35 | kPa | 420.55 | Calculated Property |
| Pvap | 41.21 | kPa | 441.28 | Calculated Property |
| Pvap | 74.16 | kPa | 462.01 | Calculated Property |
| Pvap | 125.75 | kPa | 482.74 | Calculated Property |
| Pvap | 202.67 | kPa | 503.47 | Calculated Property |
| Pvap | [0.17; 3925.82] | kPa | [316.90; 693.15] |
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 | 7.87351e+01 | |||
| Coefficient B | -9.11716e+03 | |||
| Coefficient C | -9.05134e+00 | |||
| Coefficient D | 3.95560e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 316.90 | |||
| Temperature range, max. | 693.15 | |||
| Pvap | 0.17 | kPa | 316.90 | Calculated Property |
| Pvap | 1.79 | kPa | 358.71 | Calculated Property |
| Pvap | 10.63 | kPa | 400.51 | Calculated Property |
| Pvap | 42.76 | kPa | 442.32 | Calculated Property |
| Pvap | 130.50 | kPa | 484.12 | Calculated Property |
| Pvap | 325.61 | kPa | 525.93 | Calculated Property |
| Pvap | 699.77 | kPa | 567.73 | Calculated Property |
| Pvap | 1344.45 | kPa | 609.54 | Calculated Property |
| Pvap | 2372.84 | kPa | 651.34 | Calculated Property |
| Pvap | 3925.82 | kPa | 693.15 | Calculated Property |
| Pvap | [0.13; 102.32] | kPa | [315.00; 473.60] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.54707e+01 | |||
| Coefficient B | -4.51702e+03 | |||
| Coefficient C | -5.70000e+01 | |||
| Reference | Stull, 1947 | |||
| Temperature range, min. | 315.00 | |||
| Temperature range, max. | 473.60 | |||
| Pvap | 0.13 | kPa | 315.00 | Calculated Property |
| Pvap | 0.40 | kPa | 332.62 | Calculated Property |
| Pvap | 1.07 | kPa | 350.24 | Calculated Property |
| Pvap | 2.56 | kPa | 367.87 | Calculated Property |
| Pvap | 5.58 | kPa | 385.49 | Calculated Property |
| Pvap | 11.25 | kPa | 403.11 | Calculated Property |
| Pvap | 21.16 | kPa | 420.73 | Calculated Property |
| Pvap | 37.56 | kPa | 438.36 | Calculated Property |
| Pvap | 63.38 | kPa | 455.98 | Calculated Property |
| Pvap | 102.32 | kPa | 473.60 | Calculated Property |
Similar Compounds
Find more compounds similar to p-Aminotoluene.
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Crippen Method
- Heat capacities of aqueous polar aromatic compounds over a wide range of conditions. Part I: phenol, cresols, aniline, and toluidines
- Thermochemistry of phase transitions of aromatic amines: Estimation of the sublimation enthalpy at 298.15 K through the fusion enthalpy
- The fusion thermochemistry of self-associated aromatic compounds at 298.15 K studied by solution calorimetry
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- 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.
Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.
These property values are available through the Cheméo API. A free account gives you an access key.