- InChI
- InChI=1S/C6H13N/c1-2-4-6-7-5-3-1/h7H,1-6H2
- InChI Key
- ZSIQJIWKELUFRJ-UHFFFAOYSA-N
- Formula
- C6H13N
- SMILES
- C1CCCNCC1
- Molecular Weight1
- 99.17
- CAS
- 111-49-9
- Other Names
-
- 1-Azacycloheptane
- 1H-Azepine, hexahydro-
- AZACYCLOHEPTANE
- Azepan
- Azepine, hexahydro-
- CYCLOHEXAMETHYLENIMINE
- G 0
- HEXAHYDROAZEPINE
- Hexahydro-1H-azepine
- Hexamethyleneimine
- Homopiperidine
- NSC 16236
- Perhydroazepine
- UN 2493
- 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).
- 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.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- λ : Liquid thermal conductivity (W/m×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 | 956.70 | kJ/mol | NIST |
| BasG | 923.50 | kJ/mol | NIST |
| ΔcH°liquid | -4129.70 ± 1.60 | kJ/mol | NIST |
| ΔfG° | 107.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -45.00 ± 2.00 | kJ/mol | NIST |
| ΔfH°liquid | -89.30 ± 1.60 | kJ/mol | NIST |
| ΔfusH° | 9.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.30 | kJ/mol | NIST |
| IE | [8.41; 8.50] | eV |
|
| IE | 8.50 | eV | NIST |
| IE | 8.41 ± 0.02 | eV | NIST |
| log10WS | -1.42 | Crippen Calculated Property | |
| logPoct/wat | 1.150 | Crippen Calculated Property | |
| McVol | 94.520 | ml/mol | McGowan Calculated Property |
| Pc | 4409.10 | kPa | Joback Calculated Property |
| Inp | [864.00; 864.00] |
|
|
| Inp | 864.00 | NIST | |
| Inp | 864.00 | NIST | |
| I | 1178.00 | NIST | |
| Tboil | 413.72 | K | Joback Calculated Property |
| Tc | 637.36 | K | Joback Calculated Property |
| Tfus | 270.51 | K | Joback Calculated Property |
| Vc | 0.335 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [172.71; 257.71] | J/mol×K | [413.72; 637.36] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 180 200 220 240 260 450 500 550 600 | ||||
| Cp,gas | 172.71 | J/mol×K | 413.72 | Joback Calculated Property |
| Cp,gas | 188.82 | J/mol×K | 450.99 | Joback Calculated Property |
| Cp,gas | 204.13 | J/mol×K | 488.27 | Joback Calculated Property |
| Cp,gas | 218.67 | J/mol×K | 525.54 | Joback Calculated Property |
| Cp,gas | 232.43 | J/mol×K | 562.81 | Joback Calculated Property |
| Cp,gas | 245.44 | J/mol×K | 600.09 | Joback Calculated Property |
| Cp,gas | 257.71 | J/mol×K | 637.36 | Joback Calculated Property |
| Cp,liquid | 205.00 | J/mol×K | 298.00 | NIST |
| ΔvapH | [37.70; 40.40] | kJ/mol | [361.50; 385.50] |
|
| ΔvapH | 40.40 | kJ/mol | 361.50 | NIST |
| ΔvapH | 37.70 | kJ/mol | 385.50 | NIST |
| Pvap | [0.20; 4.04] | kPa | [273.13; 321.20] |
|
|
T(K) Vapor pressure (kPa) 0 0.5 1 1.5 2 2.5 3 3.5 4 280 300 320 | ||||
| Pvap | 0.20 | kPa | 273.13 | Vapor P... |
| Pvap | 0.26 | kPa | 275.30 | Vapour ... |
| Pvap | 0.32 | kPa | 278.30 | Vapour ... |
| Pvap | 0.33 | kPa | 279.54 | Vapor P... |
| Pvap | 0.40 | kPa | 281.00 | Vapour ... |
| Pvap | 0.43 | kPa | 283.73 | Vapor P... |
| Pvap | 0.43 | kPa | 283.74 | Vapor P... |
| Pvap | 0.49 | kPa | 284.20 | Vapour ... |
| Pvap | 0.60 | kPa | 287.30 | Vapour ... |
| Pvap | 0.62 | kPa | 289.07 | Vapor P... |
| Pvap | 0.74 | kPa | 290.20 | Vapour ... |
| Pvap | 0.90 | kPa | 293.20 | Vapour ... |
| Pvap | 0.81 | kPa | 293.28 | Vapor P... |
| Pvap | 1.05 | kPa | 296.20 | Vapour ... |
| Pvap | 1.09 | kPa | 298.24 | Vapor P... |
| Pvap | 1.52 | kPa | 302.20 | Vapour ... |
| Pvap | 1.41 | kPa | 302.35 | Vapor P... |
| Pvap | 1.82 | kPa | 305.20 | Vapour ... |
| Pvap | 1.90 | kPa | 307.85 | Vapor P... |
| Pvap | 2.18 | kPa | 308.10 | Vapour ... |
| Pvap | 2.41 | kPa | 311.20 | Vapour ... |
| Pvap | 2.52 | kPa | 313.17 | Vapor P... |
| Pvap | 2.53 | kPa | 313.17 | Vapor P... |
| Pvap | 2.54 | kPa | 313.17 | Vapor P... |
| Pvap | 3.02 | kPa | 314.20 | Vapour ... |
| Pvap | 3.48 | kPa | 317.20 | Vapour ... |
| Pvap | 4.04 | kPa | 321.20 | Vapour ... |
| ρl | [837.92; 898.81] | kg/m3 | [273.16; 341.65] |
|
|
T(K) Liquid Density (kg/m3) 840 850 860 870 880 890 900 280 300 320 340 | ||||
| ρl | 898.81 | kg/m3 | 273.16 | Volumet... |
| ρl | 898.36 | kg/m3 | 273.66 | Volumet... |
| ρl | 897.92 | kg/m3 | 274.16 | Volumet... |
| ρl | 897.48 | kg/m3 | 274.66 | Volumet... |
| ρl | 897.04 | kg/m3 | 275.16 | Volumet... |
| ρl | 896.60 | kg/m3 | 275.66 | Volumet... |
| ρl | 896.16 | kg/m3 | 276.16 | Volumet... |
| ρl | 895.72 | kg/m3 | 276.66 | Volumet... |
| ρl | 895.28 | kg/m3 | 277.16 | Volumet... |
| ρl | 894.84 | kg/m3 | 277.66 | Volumet... |
| ρl | 894.40 | kg/m3 | 278.16 | Volumet... |
| ρl | 893.96 | kg/m3 | 278.66 | Volumet... |
| ρl | 893.51 | kg/m3 | 279.16 | Volumet... |
| ρl | 893.07 | kg/m3 | 279.66 | Volumet... |
| ρl | 892.63 | kg/m3 | 280.16 | Volumet... |
| ρl | 892.19 | kg/m3 | 280.66 | Volumet... |
| ρl | 891.75 | kg/m3 | 281.16 | Volumet... |
| ρl | 891.31 | kg/m3 | 281.66 | Volumet... |
| ρl | 890.87 | kg/m3 | 282.16 | Volumet... |
| ρl | 890.42 | kg/m3 | 282.66 | Volumet... |
| ρl | 889.98 | kg/m3 | 283.16 | Volumet... |
| ρl | 889.54 | kg/m3 | 283.66 | Volumet... |
| ρl | 889.10 | kg/m3 | 284.16 | Volumet... |
| ρl | 888.66 | kg/m3 | 284.66 | Volumet... |
| ρl | 888.22 | kg/m3 | 285.15 | Volumet... |
| ρl | 887.77 | kg/m3 | 285.66 | Volumet... |
| ρl | 887.33 | kg/m3 | 286.16 | Volumet... |
| ρl | 886.89 | kg/m3 | 286.66 | Volumet... |
| ρl | 886.45 | kg/m3 | 287.16 | Volumet... |
| ρl | 886.00 | kg/m3 | 287.66 | Volumet... |
| ρl | 885.56 | kg/m3 | 288.16 | Volumet... |
| ρl | 885.12 | kg/m3 | 288.66 | Volumet... |
| ρl | 884.68 | kg/m3 | 289.16 | Volumet... |
| ρl | 884.23 | kg/m3 | 289.66 | Volumet... |
| ρl | 883.79 | kg/m3 | 290.16 | Volumet... |
| ρl | 883.35 | kg/m3 | 290.66 | Volumet... |
| ρl | 882.91 | kg/m3 | 291.15 | Volumet... |
| ρl | 882.47 | kg/m3 | 291.65 | Volumet... |
| ρl | 882.03 | kg/m3 | 292.16 | Volumet... |
| ρl | 881.58 | kg/m3 | 292.65 | Volumet... |
| ρl | 881.15 | kg/m3 | 293.15 | Volumet... |
| ρl | 880.71 | kg/m3 | 293.65 | Volumet... |
| ρl | 880.26 | kg/m3 | 294.15 | Volumet... |
| ρl | 879.82 | kg/m3 | 294.65 | Volumet... |
| ρl | 879.38 | kg/m3 | 295.15 | Volumet... |
| ρl | 878.94 | kg/m3 | 295.65 | Volumet... |
| ρl | 858.06 | kg/m3 | 319.15 | Volumet... |
| ρl | 857.61 | kg/m3 | 319.65 | Volumet... |
| ρl | 857.17 | kg/m3 | 320.15 | Volumet... |
| ρl | 856.72 | kg/m3 | 320.65 | Volumet... |
| ρl | 856.28 | kg/m3 | 321.15 | Volumet... |
| ρl | 855.83 | kg/m3 | 321.65 | Volumet... |
| ρl | 855.39 | kg/m3 | 322.15 | Volumet... |
| ρl | 854.94 | kg/m3 | 322.65 | Volumet... |
| ρl | 854.49 | kg/m3 | 323.15 | Volumet... |
| ρl | 854.05 | kg/m3 | 323.65 | Volumet... |
| ρl | 853.60 | kg/m3 | 324.15 | Volumet... |
| ρl | 853.15 | kg/m3 | 324.65 | Volumet... |
| ρl | 852.71 | kg/m3 | 325.15 | Volumet... |
| ρl | 852.26 | kg/m3 | 325.66 | Volumet... |
| ρl | 851.81 | kg/m3 | 326.16 | Volumet... |
| ρl | 851.37 | kg/m3 | 326.66 | Volumet... |
| ρl | 850.92 | kg/m3 | 327.15 | Volumet... |
| ρl | 850.47 | kg/m3 | 327.66 | Volumet... |
| ρl | 850.03 | kg/m3 | 328.16 | Volumet... |
| ρl | 849.58 | kg/m3 | 328.66 | Volumet... |
| ρl | 849.13 | kg/m3 | 329.16 | Volumet... |
| ρl | 848.69 | kg/m3 | 329.66 | Volumet... |
| ρl | 848.24 | kg/m3 | 330.16 | Volumet... |
| ρl | 847.79 | kg/m3 | 330.65 | Volumet... |
| ρl | 847.35 | kg/m3 | 331.16 | Volumet... |
| ρl | 846.90 | kg/m3 | 331.66 | Volumet... |
| ρl | 846.45 | kg/m3 | 332.15 | Volumet... |
| ρl | 846.00 | kg/m3 | 332.66 | Volumet... |
| ρl | 845.55 | kg/m3 | 333.16 | Volumet... |
| ρl | 845.11 | kg/m3 | 333.65 | Volumet... |
| ρl | 844.66 | kg/m3 | 334.16 | Volumet... |
| ρl | 844.21 | kg/m3 | 334.65 | Volumet... |
| ρl | 843.76 | kg/m3 | 335.16 | Volumet... |
| ρl | 843.31 | kg/m3 | 335.65 | Volumet... |
| ρl | 842.86 | kg/m3 | 336.16 | Volumet... |
| ρl | 842.42 | kg/m3 | 336.66 | Volumet... |
| ρl | 841.96 | kg/m3 | 337.16 | Volumet... |
| ρl | 841.52 | kg/m3 | 337.66 | Volumet... |
| ρl | 841.07 | kg/m3 | 338.16 | Volumet... |
| ρl | 840.62 | kg/m3 | 338.66 | Volumet... |
| ρl | 840.17 | kg/m3 | 339.16 | Volumet... |
| ρl | 839.72 | kg/m3 | 339.66 | Volumet... |
| ρl | 839.27 | kg/m3 | 340.16 | Volumet... |
| ρl | 838.82 | kg/m3 | 340.66 | Volumet... |
| ρl | 838.37 | kg/m3 | 341.16 | Volumet... |
| ρl | 837.92 | kg/m3 | 341.65 | Volumet... |
| λ | [0.13; 0.14] | W/m×K | [273.15; 333.15] |
|
| λ | 0.14 | W/m×K | 273.15 | Liquid ... |
| λ | 0.14 | W/m×K | 293.15 | Liquid ... |
| λ | 0.13 | W/m×K | 313.15 | Liquid ... |
| λ | 0.13 | W/m×K | 333.15 | Liquid ... |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 411.20 | K | 99.90 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [304.09; 438.05] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.41849e+01 | |||
| Coefficient B | -3.28808e+03 | |||
| Coefficient C | -6.74930e+01 | |||
| Temperature range, min. | 304.09 | |||
| Temperature range, max. | 438.05 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 350 400 | ||||
| Pvap | 1.33 | kPa | 304.09 | Calculated Property |
| Pvap | 3.03 | kPa | 318.97 | Calculated Property |
| Pvap | 6.30 | kPa | 333.86 | Calculated Property |
| Pvap | 12.11 | kPa | 348.74 | Calculated Property |
| Pvap | 21.79 | kPa | 363.63 | Calculated Property |
| Pvap | 37.07 | kPa | 378.51 | Calculated Property |
| Pvap | 60.08 | kPa | 393.40 | Calculated Property |
| Pvap | 93.35 | kPa | 408.28 | Calculated Property |
| Pvap | 139.79 | kPa | 423.17 | Calculated Property |
| Pvap | 202.66 | kPa | 438.05 | Calculated Property |
| Pvap | [6.16e-03; 4345.63] | kPa | [236.15; 615.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.05850e+02 | |||
| Coefficient B | -9.05725e+03 | |||
| Coefficient C | -1.33668e+01 | |||
| Coefficient D | 8.17005e-06 | |||
| Temperature range, min. | 236.15 | |||
| Temperature range, max. | 615.00 | |||
|
T(K) Vapor pressure (kPa) 0 1000 2000 3000 4000 300 400 500 600 | ||||
| Pvap | 6.16e-03 | kPa | 236.15 | Calculated Property |
| Pvap | 0.27 | kPa | 278.24 | Calculated Property |
| Pvap | 3.66 | kPa | 320.34 | Calculated Property |
| Pvap | 23.69 | kPa | 362.43 | Calculated Property |
| Pvap | 95.65 | kPa | 404.53 | Calculated Property |
| Pvap | 281.59 | kPa | 446.62 | Calculated Property |
| Pvap | 668.41 | kPa | 488.72 | Calculated Property |
| Pvap | 1367.59 | kPa | 530.81 | Calculated Property |
| Pvap | 2525.06 | kPa | 572.91 | Calculated Property |
| Pvap | 4345.63 | kPa | 615.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexamethylenimine.
Mixtures
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Thermodynamic study of heptane + amine mixtures. V. Excess and solvation Gibbs energies
- Thermodynamic study of (heptane + amine) mixtures. III: Excess and partial molar volumes in mixtures with secondary, tertiary, and cyclic amines at 298.15 K
- Volumetric properties of hexamethyleneimine and of its mixtures with water
- Vapour pressure and enthalpy of vaporization of cyclic imines
- Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
- Liquid Thermal Conductivities of Acetonitrile, Diethyl Sulfide, Hexamethyleneimine, Tetrahydrothiophene, and Tetramethylethylenediamine
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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