- 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-Aminotoluene
- 4-METHYLBENZENEAMINE
- 4-Methylaniline
- 4-Methylbenzenamine
- 4-Toluidine
- 4-Tolylamine
- Aniline, p-methyl-
- Benzenamine, 4-methyl-
- C.I. 37107
- C.I. Azoic coupling component 107
- NSC 15350
- Naphtol AS-KG
- Naphtol AS-KGLL
- P-METHYLANILINE
- Rcra waste number U353
- p-Methylbenzenamine
- p-Toluidin
- p-Toluidine
- p-Tolylamine
- 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.
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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. Sol... | |
| log10WS | -1.21 | Estimat... | |
| 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 | 1828.90 | NIST | |
| I | 1836.10 | NIST | |
| I | 1822.00 | 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. Sol... |
| 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 | 0.348 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [188.04; 246.42] | J/mol×K | [463.75; 691.81] |
|
| Cp,gas | 188.04 | J/mol×K | 463.75 | Joback Calculated Property |
| Cp,gas | 199.40 | J/mol×K | 501.76 | Joback Calculated Property |
| Cp,gas | 210.07 | J/mol×K | 539.77 | Joback Calculated Property |
| Cp,gas | 220.08 | J/mol×K | 577.78 | Joback Calculated Property |
| Cp,gas | 229.46 | J/mol×K | 615.79 | Joback Calculated Property |
| Cp,gas | 238.23 | J/mol×K | 653.80 | Joback Calculated Property |
| Cp,gas | 246.42 | J/mol×K | 691.81 | Joback Calculated Property |
| 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 |
|---|---|---|---|---|
| Pvap | [0.15; 202.67] | kPa | [316.90; 503.47] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| 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 Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 7.87351e+01 | |||
| Coefficient B | -9.11716e+03 | |||
| Coefficient C | -9.05134e+00 | |||
| Coefficient D | 3.95560e-06 | |||
| 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 |
Similar Compounds
Find more compounds similar to p-Aminotoluene.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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