- InChI
- InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2
- InChI Key
- WGQKYBSKWIADBV-UHFFFAOYSA-N
- Formula
- C7H9N
- SMILES
- NCc1ccccc1
- Molecular Weight1
- 107.15
- CAS
- 100-46-9
- Other Names
-
- (Aminomethyl)benzene
- (Phenylmethyl)amine
- .alpha.-aminotoluene
- ALPHA-AMINOTOLUENE
- Benzenemethanamine
- MONOBENZYLAMINE
- N-Benzylamine
- NSC 8046
- Sumine 2005
- aminomethylbenzene
- benzene, aminomethyl-
- «alpha»-Aminotoluene
- «omega»-Aminotoluene
- «alpha»-Aminotoluene
- «omega»-Aminotoluene
- 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).
- SProt : Protonation entropy at 298K (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).
- 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.
- γ : Surface Tension (N/m).
- 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 |
|---|---|---|---|
| PAff | [913.30; 924.00] | kJ/mol |
|
| PAff | 913.30 | kJ/mol | NIST |
| PAff | 922.70 ± 7.80 | kJ/mol | NIST |
| PAff | 924.00 ± 4.00 | kJ/mol | NIST |
| BasG | 879.40 | kJ/mol | NIST |
| ΔcH°liquid | [-4075.00; -4058.00] | kJ/mol |
|
| ΔcH°liquid | -4075.00 ± 1.70 | kJ/mol | NIST |
| ΔcH°liquid | -4058.00 | kJ/mol | NIST |
| SProt | -3.00 ± 10.00 | J/mol×K | NIST |
| ΔfG° | 186.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [56.60; 87.80] | kJ/mol |
|
| ΔfH°gas | 87.80 ± 2.70 | kJ/mol | NIST |
| ΔfH°gas | 56.60 | kJ/mol | NIST |
| ΔfH°liquid | [3.00; 34.20] | kJ/mol |
|
| ΔfH°liquid | 34.20 ± 1.70 | kJ/mol | NIST |
| ΔfH°liquid | 3.00 | kJ/mol | NIST |
| ΔfusH° | 13.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [53.60; 60.16] | kJ/mol |
|
| ΔvapH° | 60.16 | kJ/mol | NIST |
| ΔvapH° | 54.60 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 54.00 ± 2.00 | kJ/mol | NIST |
| ΔvapH° | 53.60 | kJ/mol | NIST |
| IE | [8.49; 9.46] | eV |
|
| IE | 8.49 ± 0.06 | eV | NIST |
| IE | 8.80 | eV | NIST |
| IE | 8.73 | eV | NIST |
| IE | 8.64 ± 0.05 | eV | NIST |
| IE | 9.46 | eV | NIST |
| IE | 9.10 ± 0.01 | eV | NIST |
| log10WS | -1.53 | Aq. Sol... | |
| logPoct/wat | 1.145 | Crippen Calculated Property | |
| McVol | 95.710 | ml/mol | McGowan Calculated Property |
| Pc | 4432.62 | kPa | Joback Calculated Property |
| Inp | [983.90; 1035.00] |
|
|
| Inp | 1035.00 | NIST | |
| Inp | 1035.00 | NIST | |
| Inp | 983.90 | NIST | |
| Inp | 1019.20 | NIST | |
| Inp | 994.00 | NIST | |
| Inp | 995.00 | NIST | |
| Inp | 1019.20 | NIST | |
| Inp | 983.90 | NIST | |
| I | [1307.00; 1307.00] |
|
|
| I | 1307.00 | NIST | |
| I | 1307.00 | NIST | |
| Tboil | [358.00; 458.15] | K |
|
| Tboil | 456.70 | K | NIST |
| Tboil | 457.00 | K | NIST |
| Tboil | 458.00 | K | NIST |
| Tboil | Outlier 358.00 ± 2.00 | K | NIST |
| Tboil | 458.15 ± 0.30 | K | NIST |
| Tboil | 457.65 ± 0.50 | K | NIST |
| Tc | 685.40 | K | Joback Calculated Property |
| Tfus | 260.65 | K | Aq. Sol... |
| Vc | 0.348 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [187.78; 248.07] | J/mol×K | [458.77; 685.40] |
|
| Cp,gas | 187.78 | J/mol×K | 458.77 | Joback Calculated Property |
| Cp,gas | 199.64 | J/mol×K | 496.54 | Joback Calculated Property |
| Cp,gas | 210.72 | J/mol×K | 534.31 | Joback Calculated Property |
| Cp,gas | 221.07 | J/mol×K | 572.08 | Joback Calculated Property |
| Cp,gas | 230.72 | J/mol×K | 609.85 | Joback Calculated Property |
| Cp,gas | 239.71 | J/mol×K | 647.63 | Joback Calculated Property |
| Cp,gas | 248.07 | J/mol×K | 685.40 | Joback Calculated Property |
| Cp,liquid | 207.18 | J/mol×K | 298.15 | NIST |
| ΔvapH | [51.80; 52.70] | kJ/mol | [327.50; 380.00] |
|
| ΔvapH | 52.70 ± 0.30 | kJ/mol | 327.50 | NIST |
| ΔvapH | 51.80 | kJ/mol | 380.00 | NIST |
| Pvap | [0.01; 4.07] | kPa | [275.50; 362.67] |
|
| Pvap | 0.01 | kPa | 275.50 | The Vap... |
| Pvap | 0.02 | kPa | 276.70 | The Vap... |
| Pvap | 0.01 | kPa | 276.70 | The Vap... |
| Pvap | 0.02 | kPa | 278.60 | The Vap... |
| Pvap | 0.02 | kPa | 279.60 | The Vap... |
| Pvap | 0.02 | kPa | 279.60 | The Vap... |
| Pvap | 0.02 | kPa | 281.50 | The Vap... |
| Pvap | 0.03 | kPa | 282.30 | The Vap... |
| Pvap | 0.03 | kPa | 282.30 | The Vap... |
| Pvap | 0.03 | kPa | 284.50 | The Vap... |
| Pvap | 0.03 | kPa | 285.70 | The Vap... |
| Pvap | 0.03 | kPa | 285.70 | The Vap... |
| Pvap | 0.04 | kPa | 287.60 | The Vap... |
| Pvap | 0.04 | kPa | 288.00 | The Vap... |
| Pvap | 0.04 | kPa | 288.00 | The Vap... |
| Pvap | 0.05 | kPa | 290.50 | The Vap... |
| Pvap | 0.05 | kPa | 291.60 | The Vap... |
| Pvap | 0.05 | kPa | 291.60 | The Vap... |
| Pvap | 0.06 | kPa | 292.74 | Experim... |
| Pvap | 0.06 | kPa | 293.50 | The Vap... |
| Pvap | 0.06 | kPa | 294.20 | The Vap... |
| Pvap | 0.06 | kPa | 294.20 | The Vap... |
| Pvap | 0.08 | kPa | 296.50 | The Vap... |
| Pvap | 0.08 | kPa | 297.70 | The Vap... |
| Pvap | 0.08 | kPa | 297.70 | The Vap... |
| Pvap | 0.09 | kPa | 298.40 | The Vap... |
| Pvap | 0.10 | kPa | 300.30 | The Vap... |
| Pvap | 0.10 | kPa | 300.30 | The Vap... |
| Pvap | 0.11 | kPa | 301.30 | The Vap... |
| Pvap | 0.13 | kPa | 302.68 | Experim... |
| Pvap | 0.13 | kPa | 303.30 | The Vap... |
| Pvap | 0.13 | kPa | 303.40 | The Vap... |
| Pvap | 0.13 | kPa | 303.40 | The Vap... |
| Pvap | 0.13 | kPa | 303.50 | The Vap... |
| Pvap | 0.14 | kPa | 304.30 | The Vap... |
| Pvap | 0.15 | kPa | 306.10 | The Vap... |
| Pvap | 0.15 | kPa | 306.30 | The Vap... |
| Pvap | 0.17 | kPa | 307.40 | The Vap... |
| Pvap | 0.18 | kPa | 308.30 | The Vap... |
| Pvap | 0.18 | kPa | 308.40 | The Vap... |
| Pvap | 0.19 | kPa | 309.40 | The Vap... |
| Pvap | 0.20 | kPa | 309.50 | The Vap... |
| Pvap | 0.21 | kPa | 310.30 | The Vap... |
| Pvap | 0.23 | kPa | 312.20 | The Vap... |
| Pvap | 0.23 | kPa | 312.30 | The Vap... |
| Pvap | 0.23 | kPa | 312.30 | The Vap... |
| Pvap | 0.26 | kPa | 312.69 | Experim... |
| Pvap | 0.25 | kPa | 313.40 | The Vap... |
| Pvap | 0.30 | kPa | 315.60 | The Vap... |
| Pvap | 0.49 | kPa | 322.67 | Experim... |
| Pvap | 0.88 | kPa | 332.70 | Experim... |
| Pvap | 1.52 | kPa | 342.68 | Experim... |
| Pvap | 2.51 | kPa | 352.67 | Experim... |
| Pvap | 4.07 | kPa | 362.67 | Experim... |
| ρl | [849.30; 983.66] | kg/m3 | [293.15; 443.15] |
|
| ρl | 983.40 | kg/m3 | 293.15 | Measure... |
| ρl | 983.00 | kg/m3 | 293.15 | Volumet... |
| ρl | 983.66 | kg/m3 | 293.15 | Measure... |
| ρl | 979.35 | kg/m3 | 298.15 | Measure... |
| ρl | 978.34 | kg/m3 | 298.15 | Thermod... |
| ρl | 978.00 | kg/m3 | 298.15 | Volumet... |
| ρl | 978.34 | kg/m3 | 298.15 | THERMOD... |
| ρl | 978.34 | kg/m3 | 298.15 | Thermod... |
| ρl | 978.90 | kg/m3 | 298.15 | Measure... |
| ρl | 974.40 | kg/m3 | 303.15 | Measure... |
| ρl | 974.00 | kg/m3 | 303.15 | Volumet... |
| ρl | 975.60 | kg/m3 | 303.15 | Unravel... |
| ρl | 975.01 | kg/m3 | 303.15 | Measure... |
| ρl | 970.67 | kg/m3 | 308.15 | Measure... |
| ρl | 970.00 | kg/m3 | 308.15 | Measure... |
| ρl | 966.33 | kg/m3 | 313.15 | Measure... |
| ρl | 965.00 | kg/m3 | 313.15 | Volumet... |
| ρl | 965.70 | kg/m3 | 313.15 | Measure... |
| ρl | 961.30 | kg/m3 | 318.15 | Measure... |
| ρl | 961.98 | kg/m3 | 318.15 | Measure... |
| ρl | 956.90 | kg/m3 | 323.15 | Measure... |
| ρl | 957.00 | kg/m3 | 323.15 | Volumet... |
| ρl | 957.63 | kg/m3 | 323.15 | Measure... |
| ρl | 953.27 | kg/m3 | 328.15 | Measure... |
| ρl | 952.50 | kg/m3 | 328.15 | Measure... |
| ρl | 948.20 | kg/m3 | 333.15 | Measure... |
| ρl | 948.90 | kg/m3 | 333.15 | Measure... |
| ρl | 944.53 | kg/m3 | 338.15 | Measure... |
| ρl | 943.70 | kg/m3 | 338.15 | Measure... |
| ρl | 940.14 | kg/m3 | 343.15 | Measure... |
| ρl | 939.40 | kg/m3 | 343.15 | Measure... |
| ρl | 935.00 | kg/m3 | 348.15 | Measure... |
| ρl | 930.60 | kg/m3 | 353.15 | Measure... |
| ρl | 926.20 | kg/m3 | 358.15 | Measure... |
| ρl | 921.80 | kg/m3 | 363.15 | Measure... |
| ρl | 917.30 | kg/m3 | 368.15 | Measure... |
| ρl | 912.90 | kg/m3 | 373.15 | Measure... |
| ρl | 908.50 | kg/m3 | 378.15 | Measure... |
| ρl | 904.00 | kg/m3 | 383.15 | Measure... |
| ρl | 899.70 | kg/m3 | 388.15 | Measure... |
| ρl | 895.20 | kg/m3 | 393.15 | Measure... |
| ρl | 890.60 | kg/m3 | 398.15 | Measure... |
| ρl | 886.20 | kg/m3 | 403.15 | Measure... |
| ρl | 881.60 | kg/m3 | 408.15 | Measure... |
| ρl | 877.10 | kg/m3 | 413.15 | Measure... |
| ρl | 872.50 | kg/m3 | 418.15 | Measure... |
| ρl | 867.90 | kg/m3 | 423.15 | Measure... |
| ρl | 863.30 | kg/m3 | 428.15 | Measure... |
| ρl | 858.70 | kg/m3 | 433.15 | Measure... |
| ρl | 854.00 | kg/m3 | 438.15 | Measure... |
| ρl | 849.30 | kg/m3 | 443.15 | Measure... |
| γ | [0.04; 0.04] | N/m | [283.15; 323.15] |
|
| γ | 0.04 | N/m | 283.15 | Surface... |
| γ | 0.04 | N/m | 293.15 | Surface... |
| γ | 0.04 | N/m | 303.15 | Surface... |
| γ | 0.04 | N/m | 313.15 | Surface... |
| γ | 0.04 | N/m | 323.15 | Surface... |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [363.00; 363.20] | K | [1.60; 1.60] |
|
| Tboilr | 363.20 | K | 1.60 | NIST |
| Tboilr | 363.00 | K | 1.60 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [339.90; 486.90] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.49879e+01 | |||
| Coefficient B | -4.16213e+03 | |||
| Coefficient C | -5.67710e+01 | |||
| Temperature range, min. | 339.90 | |||
| Temperature range, max. | 486.90 | |||
| Pvap | 1.33 | kPa | 339.90 | Calculated Property |
| Pvap | 2.97 | kPa | 356.23 | Calculated Property |
| Pvap | 6.10 | kPa | 372.57 | Calculated Property |
| Pvap | 11.66 | kPa | 388.90 | Calculated Property |
| Pvap | 20.98 | kPa | 405.23 | Calculated Property |
| Pvap | 35.82 | kPa | 421.57 | Calculated Property |
| Pvap | 58.40 | kPa | 437.90 | Calculated Property |
| Pvap | 91.48 | kPa | 454.23 | Calculated Property |
| Pvap | 138.31 | kPa | 470.57 | Calculated Property |
| Pvap | 202.64 | kPa | 486.90 | Calculated Property |
| Pvap | [7.50e-05; 4238.78] | kPa | [227.15; 683.50] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 7.85699e+01 | |||
| Coefficient B | -8.96094e+03 | |||
| Coefficient C | -8.99328e+00 | |||
| Coefficient D | 3.41134e-06 | |||
| Temperature range, min. | 227.15 | |||
| Temperature range, max. | 683.50 | |||
| Pvap | 7.50e-05 | kPa | 227.15 | Calculated Property |
| Pvap | 0.02 | kPa | 277.86 | Calculated Property |
| Pvap | 0.64 | kPa | 328.56 | Calculated Property |
| Pvap | 7.61 | kPa | 379.27 | Calculated Property |
| Pvap | 45.93 | kPa | 429.97 | Calculated Property |
| Pvap | 177.77 | kPa | 480.68 | Calculated Property |
| Pvap | 509.05 | kPa | 531.38 | Calculated Property |
| Pvap | 1181.43 | kPa | 582.09 | Calculated Property |
| Pvap | 2361.45 | kPa | 632.79 | Calculated Property |
| Pvap | 4238.78 | kPa | 683.50 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzylamine.
Mixtures
- n-Hexane + Benzylamine + Tetrahydrofuran
- n-Hexane + 1,4-Dioxane + Benzylamine
- Benzylamine + Water
- Dimethyl Sulfoxide + Benzylamine
- Heptane + Benzylamine
- Benzylamine + Methyl Alcohol
- 1-Propanol + Benzylamine
- 1-Pentanol + Benzylamine
- 1-Butanol + Benzylamine
- 1-Octanol + Benzylamine
- 1-Decanol + Benzylamine
- Decane + Benzylamine
- Undecane + Benzylamine
- Dodecane + Benzylamine
- Tetradecane + Benzylamine
- Hexadecane + Benzylamine
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Unravelling various types of non-covalent interactions of benzyl amine with ethers in n-hexane at 303.15 K by ultrasonic and DFT methods
- Phase equilibrium properties of binary aqueous solutions of benzylamine, 1,2-bis(2-aminoethoxy)ethane, or 2-[2-(dimethylamino)ethoxy]ethanol
- Volumetric, acoustic and transport properties of mixtures containing dimethyl sulfoxide and some amines or alkanolamines: Measurement and correlation
- THERMODYNAMICS OF MIXTURES CONTAINING AMINES. XIV. CpEm OF BENZYLAMINE WITH HEPTANE AT 293.15 K OR WITH METHANOL, 1-PROPANOL OR 1-PENTANOL AT (293.15-308.15) K
- Thermodynamics of mixtures containing amines. XVI. CE pm of 1-butanol, 1-octanol or 1-decanol + benzylamine systems at (298.15, 308.15, 318.15 and 333.15) K
- Measurement and Correlation for Acoustic, Transport, Refractive, and High-Temperature Volumetric Data of Substituted Benzylamines
- Thermodynamic Properties of Mixtures Containing Ionic Liquids. 7. Activity Coefficients of Aliphatic and Aromatic Esters and Benzylamine in 1-Methyl-3-ethylimidazolium Bis(trifluoromethylsulfonyl) Imide Using the Transpiration Method
- Surface Tension and Refractive Index of Benzylamine and 1,2-Diaminopropane Aqueous Solutions from T = (283.15 to 323.15) K
- The Vaporization Enthalpy and Vapor Pressure of (d)-Amphetamine and of Several Primary Amines Used as Standards at T/K = 298 As Evaluated by Correlation Gas Chromatography and Transpiration
- Thermodynamics of Mixtures Containing Amines. XV. Liquid Liquid Equilibria for Benzylamine + CH3(CH2)nCH3 (n = 8, 9, 10, 12, 14)
- Experimental Vapor Pressures of 2-Phenylethylamine, Benzylamine, Triethylamine, and cis-2,6-Dimethylpiperidine in the Range between 0.2 Pa and 75 kPa
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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