- InChI
- InChI=1S/C7H18N2/c8-6-4-2-1-3-5-7-9/h1-9H2
- InChI Key
- PWSKHLMYTZNYKO-UHFFFAOYSA-N
- Formula
- C7H18N2
- SMILES
- NCCCCCCCN
- Molecular Weight1
- 130.23
- CAS
- 646-19-5
- Other Names
-
- 1,7-Diaminoheptane
- 1,7-Heptamethylenediamine
- 1,7-Heptanediamine
- Heptamethylenediamine
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (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).
- 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).
- 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).
- Psub : Sublimation pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 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 |
|---|---|---|---|
| PAff | 998.50 | kJ/mol | NIST |
| BasG | [922.00; 944.90] | kJ/mol |
|
| BasG | 944.90 | kJ/mol | NIST |
| BasG | 922.00 ± 3.00 | kJ/mol | NIST |
| ΔfG° | 140.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -120.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | [61.27; 66.33] | kJ/mol |
|
| ΔfusH° | 66.33 | kJ/mol | Vapor p... |
| ΔfusH° | 66.10 | kJ/mol | Vapor p... |
| ΔfusH° | 66.09 | kJ/mol | Vapor p... |
| ΔfusH° | 65.63 | kJ/mol | Vapor p... |
| ΔfusH° | 65.42 | kJ/mol | Vapor p... |
| ΔfusH° | 65.15 | kJ/mol | Vapor p... |
| ΔfusH° | 64.74 | kJ/mol | Vapor p... |
| ΔfusH° | 64.66 | kJ/mol | Vapor p... |
| ΔfusH° | 64.66 | kJ/mol | Vapor p... |
| ΔfusH° | 64.18 | kJ/mol | Vapor p... |
| ΔfusH° | 64.06 | kJ/mol | Vapor p... |
| ΔfusH° | 63.69 | kJ/mol | Vapor p... |
| ΔfusH° | 63.38 | kJ/mol | Vapor p... |
| ΔfusH° | 63.21 | kJ/mol | Vapor p... |
| ΔfusH° | 63.04 | kJ/mol | Vapor p... |
| ΔfusH° | 62.73 | kJ/mol | Vapor p... |
| ΔfusH° | 62.71 | kJ/mol | Vapor p... |
| ΔfusH° | 62.36 | kJ/mol | Vapor p... |
| ΔfusH° | 62.24 | kJ/mol | Vapor p... |
| ΔfusH° | 62.03 | kJ/mol | Vapor p... |
| ΔfusH° | 61.75 | kJ/mol | Vapor p... |
| ΔfusH° | 61.69 | kJ/mol | Vapor p... |
| ΔfusH° | 61.35 | kJ/mol | Vapor p... |
| ΔfusH° | 61.27 | kJ/mol | Vapor p... |
| ΔvapH° | 52.46 | kJ/mol | Joback Calculated Property |
| log10WS | -1.62 | Crippen Calculated Property | |
| logPoct/wat | 0.854 | Crippen Calculated Property | |
| McVol | 129.450 | ml/mol | McGowan Calculated Property |
| Pc | 3170.40 | kPa | Joback Calculated Property |
| Inp | [1168.00; 1168.00] |
|
|
| Inp | 1168.00 | NIST | |
| Inp | 1168.00 | NIST | |
| I | 1744.00 | NIST | |
| Tboil | 497.20 | K | NIST |
| Tc | 695.22 | K | Joback Calculated Property |
| Tfus | 335.17 | K | Joback Calculated Property |
| Vc | 0.485 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [308.55; 377.66] | J/mol×K | [504.62; 695.22] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 310 320 330 340 350 360 370 380 550 600 650 | ||||
| Cp,gas | 308.55 | J/mol×K | 504.62 | Joback Calculated Property |
| Cp,gas | 321.48 | J/mol×K | 536.39 | Joback Calculated Property |
| Cp,gas | 333.83 | J/mol×K | 568.15 | Joback Calculated Property |
| Cp,gas | 345.60 | J/mol×K | 599.92 | Joback Calculated Property |
| Cp,gas | 356.81 | J/mol×K | 631.69 | Joback Calculated Property |
| Cp,gas | 367.49 | J/mol×K | 663.45 | Joback Calculated Property |
| Cp,gas | 377.66 | J/mol×K | 695.22 | Joback Calculated Property |
| Cp,liquid | [332.76; 341.76] | J/mol×K | [302.15; 353.15] |
|
|
T(K) Liquid phase heat capacity (J/mol×K) 332 334 336 338 340 342 320 340 | ||||
| Cp,liquid | 332.76 | J/mol×K | 302.15 | Heat Ca... |
| Cp,liquid | 332.93 | J/mol×K | 303.65 | Heat Ca... |
| Cp,liquid | 333.11 | J/mol×K | 305.15 | Heat Ca... |
| Cp,liquid | 333.29 | J/mol×K | 306.65 | Heat Ca... |
| Cp,liquid | 333.48 | J/mol×K | 308.15 | Heat Ca... |
| Cp,liquid | 333.67 | J/mol×K | 309.65 | Heat Ca... |
| Cp,liquid | 333.86 | J/mol×K | 311.15 | Heat Ca... |
| Cp,liquid | 334.06 | J/mol×K | 312.65 | Heat Ca... |
| Cp,liquid | 334.27 | J/mol×K | 314.15 | Heat Ca... |
| Cp,liquid | 334.48 | J/mol×K | 315.65 | Heat Ca... |
| Cp,liquid | 334.70 | J/mol×K | 317.15 | Heat Ca... |
| Cp,liquid | 334.92 | J/mol×K | 318.65 | Heat Ca... |
| Cp,liquid | 335.15 | J/mol×K | 320.15 | Heat Ca... |
| Cp,liquid | 335.38 | J/mol×K | 321.65 | Heat Ca... |
| Cp,liquid | 335.62 | J/mol×K | 323.15 | Heat Ca... |
| Cp,liquid | 335.87 | J/mol×K | 324.65 | Heat Ca... |
| Cp,liquid | 336.12 | J/mol×K | 326.15 | Heat Ca... |
| Cp,liquid | 336.38 | J/mol×K | 327.65 | Heat Ca... |
| Cp,liquid | 336.64 | J/mol×K | 329.15 | Heat Ca... |
| Cp,liquid | 336.91 | J/mol×K | 330.65 | Heat Ca... |
| Cp,liquid | 337.18 | J/mol×K | 332.15 | Heat Ca... |
| Cp,liquid | 337.47 | J/mol×K | 333.65 | Heat Ca... |
| Cp,liquid | 337.76 | J/mol×K | 335.15 | Heat Ca... |
| Cp,liquid | 338.05 | J/mol×K | 336.65 | Heat Ca... |
| Cp,liquid | 338.35 | J/mol×K | 338.15 | Heat Ca... |
| Cp,liquid | 338.66 | J/mol×K | 339.65 | Heat Ca... |
| Cp,liquid | 338.98 | J/mol×K | 341.15 | Heat Ca... |
| Cp,liquid | 339.30 | J/mol×K | 342.65 | Heat Ca... |
| Cp,liquid | 339.63 | J/mol×K | 344.15 | Heat Ca... |
| Cp,liquid | 339.97 | J/mol×K | 345.65 | Heat Ca... |
| Cp,liquid | 340.31 | J/mol×K | 347.15 | Heat Ca... |
| Cp,liquid | 340.66 | J/mol×K | 348.65 | Heat Ca... |
| Cp,liquid | 341.02 | J/mol×K | 350.15 | Heat Ca... |
| Cp,liquid | 341.39 | J/mol×K | 351.65 | Heat Ca... |
| Cp,liquid | 341.76 | J/mol×K | 353.15 | Heat Ca... |
| ΔfusH | 36.95 | kJ/mol | 298.50 | NIST |
| ΔvapH | 46.50 | kJ/mol | 293.00 | NIST |
| Psub | [2.20e-04; 7.87e-03] | kPa | [273.48; 298.49] |
|
|
T(K) Sublimation pressure (kPa) 0 1.00e-3 2.00e-3 3.00e-3 4.00e-3 5.00e-3 6.00e-3 7.00e-3 8.00e-3 280 290 | ||||
| Psub | 2.20e-04 | kPa | 273.48 | Thermod... |
| Psub | 2.20e-04 | kPa | 273.48 | Thermod... |
| Psub | 2.20e-04 | kPa | 273.48 | Thermod... |
| Psub | 4.30e-04 | kPa | 278.48 | Thermod... |
| Psub | 4.30e-04 | kPa | 278.48 | Thermod... |
| Psub | 4.30e-04 | kPa | 278.48 | Thermod... |
| Psub | 8.70e-04 | kPa | 283.49 | Thermod... |
| Psub | 8.70e-04 | kPa | 283.49 | Thermod... |
| Psub | 8.60e-04 | kPa | 283.49 | Thermod... |
| Psub | 1.79e-03 | kPa | 288.49 | Thermod... |
| Psub | 1.79e-03 | kPa | 288.49 | Thermod... |
| Psub | 1.78e-03 | kPa | 288.49 | Thermod... |
| Psub | 2.61e-03 | kPa | 290.99 | Thermod... |
| Psub | 2.62e-03 | kPa | 290.99 | Thermod... |
| Psub | 2.61e-03 | kPa | 290.99 | Thermod... |
| Psub | 3.81e-03 | kPa | 293.49 | Thermod... |
| Psub | 3.82e-03 | kPa | 293.49 | Thermod... |
| Psub | 3.82e-03 | kPa | 293.49 | Thermod... |
| Psub | 3.81e-03 | kPa | 293.49 | Thermod... |
| Psub | 5.49e-03 | kPa | 295.99 | Thermod... |
| Psub | 5.48e-03 | kPa | 295.99 | Thermod... |
| Psub | 5.48e-03 | kPa | 295.99 | Thermod... |
| Psub | 7.85e-03 | kPa | 298.49 | Thermod... |
| Psub | 7.86e-03 | kPa | 298.49 | Thermod... |
| Psub | 7.87e-03 | kPa | 298.49 | Thermod... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [379.72; 525.10] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.56908e+01 | |||
| Coefficient B | -4.62653e+03 | |||
| Coefficient C | -7.93580e+01 | |||
| Temperature range, min. | 379.72 | |||
| Temperature range, max. | 525.10 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 400 450 500 | ||||
| Pvap | 1.33 | kPa | 379.72 | Calculated Property |
| Pvap | 2.93 | kPa | 395.87 | Calculated Property |
| Pvap | 5.95 | kPa | 412.03 | Calculated Property |
| Pvap | 11.33 | kPa | 428.18 | Calculated Property |
| Pvap | 20.38 | kPa | 444.33 | Calculated Property |
| Pvap | 34.87 | kPa | 460.49 | Calculated Property |
| Pvap | 57.13 | kPa | 476.64 | Calculated Property |
| Pvap | 90.05 | kPa | 492.79 | Calculated Property |
| Pvap | 137.15 | kPa | 508.95 | Calculated Property |
| Pvap | 202.63 | kPa | 525.10 | Calculated Property |
Similar Compounds
Find more compounds similar to H2N(CH2)7NH2.
Sources
- Crippen Method
- Crippen Method
- Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
- Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
- Heat Capacities of Some Liquid a,?-Alkanediamines in the Temperature Range between (293.15 and 353.15) K
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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