- InChI
- InChI=1S/C7H9N/c1-6-3-2-4-7(8)5-6/h2-5H,8H2,1H3
- InChI Key
- JJYPMNFTHPTTDI-UHFFFAOYSA-N
- Formula
- C7H9N
- SMILES
- Cc1cccc(N)c1
- Molecular Weight1
- 107.15
- CAS
- 108-44-1
- Other Names
-
- 1-Amino-3-methylbenzene
- 3-Amino-1-methylbenzene
- 3-Aminophenylmethane
- 3-Aminotoluen
- 3-Aminotoluene
- 3-METHYLBENZENEAMINE
- 3-Methylaniline
- 3-Methylbenzenamine
- 3-Toluidine
- 3-methyl-benzamine
- Aniline, 3-methyl-
- M-AMINOTOLUENE
- M-METHYLANILINE
- NSC 15349
- benzeneamine, 3-methyl-
- m-Methylbenzenamine
- m-Toluidin
- m-Toluidine
- m-Tolylamine
- 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,liquid : Liquid phase heat capacity (J/mol×K).
- 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).
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- csound,fluid : Speed of sound in fluid (m/s).
- 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 |
|---|---|---|---|
| PAff | 895.80 | kJ/mol | NIST |
| BasG | 864.00 | kJ/mol | NIST |
| ΔcH°liquid | [-4083.00; -4047.00] | kJ/mol |
|
| ΔcH°liquid | -4083.00 | kJ/mol | NIST |
| ΔcH°liquid | -4047.00 | kJ/mol | NIST |
| ΔfG° | 177.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [61.10; 87.90] | kJ/mol |
|
| ΔfH°gas | 61.10 | kJ/mol | NIST |
| ΔfH°gas | 87.90 | kJ/mol | NIST |
| ΔfH°liquid | 42.30 | kJ/mol | NIST |
| ΔfusH° | 12.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [45.61; 64.10] | kJ/mol |
|
| ΔvapH° | 58.30 ± 0.40 | kJ/mol | NIST |
| ΔvapH° | 59.60 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 62.70 ± 0.50 | kJ/mol | NIST |
| ΔvapH° | Outlier 45.61 | kJ/mol | NIST |
| ΔvapH° | 64.10 | kJ/mol | NIST |
| ΔvapH° | 56.40 | kJ/mol | NIST |
| IE | [7.50; 7.82] | eV |
|
| IE | 7.54 ± 0.03 | eV | NIST |
| IE | 7.55 | eV | NIST |
| IE | 7.70 ± 0.10 | eV | NIST |
| IE | 7.60 ± 0.10 | eV | NIST |
| IE | 7.75 | eV | NIST |
| IE | 7.50 ± 0.02 | eV | NIST |
| IE | 7.82 | eV | NIST |
| IE | 7.66 | eV | NIST |
| IE | 7.66 | eV | NIST |
| log10WS | [-0.85; -0.85] |
|
|
| log10WS | -0.85 | Aq. Sol... | |
| log10WS | -0.85 | Estimat... | |
| logPoct/wat | 1.577 | Crippen Calculated Property | |
| McVol | 95.710 | ml/mol | McGowan Calculated Property |
| Pc | [4154.33; 4280.00] | kPa |
|
| Pc | 4280.00 | kPa | KDB |
| Pc | 4154.33 ± 303.98 | kPa | NIST |
| Inp | [177.34; 1088.00] |
|
|
| Inp | 1088.00 | NIST | |
| Inp | 1088.00 | NIST | |
| Inp | 1082.00 | NIST | |
| Inp | 1047.50 | NIST | |
| Inp | 1064.00 | NIST | |
| Inp | 1075.00 | NIST | |
| Inp | 1074.00 | NIST | |
| Inp | 1064.00 | NIST | |
| Inp | 1060.00 | NIST | |
| Inp | 1060.00 | NIST | |
| Inp | 1043.00 | NIST | |
| Inp | Outlier 177.34 | NIST | |
| Inp | 1088.00 | NIST | |
| Inp | 1074.00 | NIST | |
| Inp | 1082.00 | NIST | |
| Inp | 1060.00 | NIST | |
| Inp | Outlier 177.34 | NIST | |
| I | [1831.00; 1853.00] |
|
|
| I | 1840.00 | NIST | |
| I | 1835.00 | NIST | |
| I | 1840.00 | NIST | |
| I | 1838.00 | NIST | |
| I | 1853.00 | NIST | |
| I | 1831.00 | NIST | |
| I | 1849.00 | NIST | |
| I | 1831.00 | NIST | |
| I | 1840.00 | NIST | |
| Tboil | [471.90; 476.55] | K |
|
| Tboil | 476.52 | K | KDB |
| Tboil | 476.50 | K | NIST |
| Tboil | Outlier 471.90 ± 0.50 | K | NIST |
| Tboil | 476.49 ± 0.07 | K | NIST |
| Tboil | 476.25 ± 0.40 | K | NIST |
| Tboil | 476.25 ± 0.30 | K | NIST |
| Tboil | 476.55 ± 0.30 | K | NIST |
| Tboil | 476.15 ± 0.50 | K | NIST |
| Tboil | 476.35 ± 0.30 | K | NIST |
| Tboil | 476.01 ± 0.20 | K | NIST |
| Tboil | 476.40 ± 0.50 | K | NIST |
| Tboil | 476.30 ± 0.40 | K | NIST |
| Tboil | Outlier 472.20 ± 1.00 | K | NIST |
| Tboil | 476.15 ± 1.00 | K | NIST |
| Tc | [707.00; 709.15] | K |
|
| Tc | 707.00 | K | KDB |
| Tc | 709.15 ± 2.00 | K | NIST |
| Tfus | [229.60; 242.80] | K |
|
| Tfus | 241.90 | K | KDB |
| Tfus | 242.72 | K | Aq. Sol... |
| Tfus | 242.00 ± 0.30 | K | NIST |
| Tfus | 242.80 ± 0.02 | K | NIST |
| Tfus | Outlier 229.60 ± 0.60 | K | NIST |
| Tfus | 241.90 ± 0.30 | K | NIST |
| Tfus | 242.75 ± 0.05 | K | NIST |
| Tfus | 241.90 ± 0.10 | K | NIST |
| Tfus | 241.70 ± 1.50 | K | NIST |
| Tfus | 241.70 ± 0.50 | K | NIST |
| Tfus | 242.15 ± 0.40 | 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] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 190 200 210 220 230 240 250 500 550 600 650 | ||||
| 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,liquid | [167.20; 216.70] | J/mol×K | [302.70; 303.15] |
|
| Cp,liquid | 216.70 | J/mol×K | 302.70 | NIST |
| Cp,liquid | 216.70 | J/mol×K | 302.70 | NIST |
| Cp,liquid | 167.20 | J/mol×K | 303.15 | NIST |
| ΔfusH | [8.80; 8.80] | kJ/mol | [241.65; 241.70] |
|
| ΔfusH | 8.80 | kJ/mol | 241.65 | NIST |
| ΔfusH | 8.80 | kJ/mol | 241.70 | NIST |
| ΔfusH | 8.80 | kJ/mol | 241.70 | NIST |
| ΔvapH | 51.10 | kJ/mol | 435.50 | NIST |
| ΔfusS | 36.00 | J/mol×K | 241.65 | NIST |
| csound,fluid | [1492.00; 1567.00] | m/s | [303.15; 323.15] |
|
| csound,fluid | 1567.00 | m/s | 303.15 | Thermod... |
| csound,fluid | 1533.00 | m/s | 313.15 | Thermod... |
| csound,fluid | 1492.00 | m/s | 323.15 | Thermod... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [363.13; 504.07] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.43802e+01 | |||
| Coefficient B | -3.58551e+03 | |||
| Coefficient C | -1.08703e+02 | |||
| Temperature range, min. | 363.13 | |||
| Temperature range, max. | 504.07 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 400 450 500 | ||||
| Pvap | 1.33 | kPa | 363.13 | Calculated Property |
| Pvap | 3.02 | kPa | 378.79 | Calculated Property |
| Pvap | 6.25 | kPa | 394.45 | Calculated Property |
| Pvap | 11.99 | kPa | 410.11 | Calculated Property |
| Pvap | 21.58 | kPa | 425.77 | Calculated Property |
| Pvap | 36.75 | kPa | 441.43 | Calculated Property |
| Pvap | 59.65 | kPa | 457.09 | Calculated Property |
| Pvap | 92.87 | kPa | 472.75 | Calculated Property |
| Pvap | 139.41 | kPa | 488.41 | Calculated Property |
| Pvap | 202.63 | kPa | 504.07 | Calculated Property |
| Pvap | [2.20e-04; 4053.78] | kPa | [242.75; 709.15] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 6.48797e+01 | |||
| Coefficient B | -8.59789e+03 | |||
| Coefficient C | -6.91816e+00 | |||
| Coefficient D | 1.91528e-06 | |||
| Temperature range, min. | 242.75 | |||
| Temperature range, max. | 709.15 | |||
|
T(K) Vapor pressure (kPa) 0 500 1000 1500 2000 2500 3000 3500 4000 400 600 | ||||
| Pvap | 2.20e-04 | kPa | 242.75 | Calculated Property |
| Pvap | 0.03 | kPa | 294.57 | Calculated Property |
| Pvap | 0.85 | kPa | 346.39 | Calculated Property |
| Pvap | 8.79 | kPa | 398.22 | Calculated Property |
| Pvap | 49.28 | kPa | 450.04 | Calculated Property |
| Pvap | 183.23 | kPa | 501.86 | Calculated Property |
| Pvap | 512.41 | kPa | 553.68 | Calculated Property |
| Pvap | 1169.37 | kPa | 605.51 | Calculated Property |
| Pvap | 2300.56 | kPa | 657.33 | Calculated Property |
| Pvap | 4053.78 | kPa | 709.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzenamine, 3-methyl-.
Mixtures
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Thermodynamic and acoustic properties of binary mixtures of ethers. III. Diisopropyl ether or oxolane with o- or m-toluidines at 303.15, 313.15 and 323.15 K
- 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.