- InChI
- InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2
- InChI Key
- XFNJVJPLKCPIBV-UHFFFAOYSA-N
- Formula
- C3H10N2
- SMILES
- NCCCN
- Molecular Weight1
- 74.12
- CAS
- 109-76-2
- Other Names
-
- 1,3-Diaminopropane
- 1,3-Propylenediamine
- H2N(CH2)3NH2
- Propane-1,3-diamine
- Trimethylenediamine
- 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).
- ρl : Liquid Density (kg/m3).
- 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 | [970.70; 987.00] | kJ/mol |
|
| PAff | 987.00 | kJ/mol | NIST |
| PAff | 978.00 ± 4.00 | kJ/mol | NIST |
| PAff | 970.70 | kJ/mol | NIST |
| PAff | 982.40 | kJ/mol | NIST |
| BasG | 940.00 | kJ/mol | NIST |
| ΔfG° | 107.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -37.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | [47.52; 51.30] | kJ/mol |
|
| ΔfusH° | 51.30 | kJ/mol | Vapor p... |
| ΔfusH° | 50.97 | kJ/mol | Vapor p... |
| ΔfusH° | 50.68 | kJ/mol | Vapor p... |
| ΔfusH° | 50.36 | kJ/mol | Vapor p... |
| ΔfusH° | 50.03 | kJ/mol | Vapor p... |
| ΔfusH° | 49.74 | kJ/mol | Vapor p... |
| ΔfusH° | 49.42 | kJ/mol | Vapor p... |
| ΔfusH° | 49.10 | kJ/mol | Vapor p... |
| ΔfusH° | 48.79 | kJ/mol | Vapor p... |
| ΔfusH° | 48.47 | kJ/mol | Vapor p... |
| ΔfusH° | 48.15 | kJ/mol | Vapor p... |
| ΔfusH° | 47.84 | kJ/mol | Vapor p... |
| ΔfusH° | 47.52 | kJ/mol | Vapor p... |
| ΔvapH° | [50.16; 50.20] | kJ/mol |
|
| ΔvapH° | 50.18 | kJ/mol | NIST |
| ΔvapH° | 50.20 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 50.16 ± 0.10 | kJ/mol | NIST |
| log10WS | 0.05 | Crippen Calculated Property | |
| logPoct/wat | -0.706 | Crippen Calculated Property | |
| McVol | 73.090 | ml/mol | McGowan Calculated Property |
| Pc | 5590.00 | kPa | Critica... |
| Inp | [720.00; 748.00] |
|
|
| Inp | 748.00 | NIST | |
| Inp | 720.00 | NIST | |
| I | [1320.00; 1337.00] |
|
|
| I | 1330.00 | NIST | |
| I | 1320.00 | NIST | |
| I | 1337.00 | NIST | |
| I | 1330.00 | NIST | |
| Tboil | [412.85; 413.20] | K |
|
| Tboil | 413.20 | K | NIST |
| Tboil | 412.90 | K | NIST |
| Tboil | 412.85 | K | NIST |
| Tc | 612.43 | K | Joback Calculated Property |
| Tfus | [249.65; 261.20] | K |
|
| Tfus | 261.15 | K | NIST |
| Tfus | 261.20 ± 0.60 | K | NIST |
| Tfus | 249.65 ± 0.50 | K | NIST |
| Vc | 0.262 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [148.26; 191.67] | J/mol×K | [413.10; 612.43] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 150 160 170 180 190 450 500 550 600 | ||||
| Cp,gas | 148.26 | J/mol×K | 413.10 | Joback Calculated Property |
| Cp,gas | 156.37 | J/mol×K | 446.32 | Joback Calculated Property |
| Cp,gas | 164.11 | J/mol×K | 479.54 | Joback Calculated Property |
| Cp,gas | 171.50 | J/mol×K | 512.76 | Joback Calculated Property |
| Cp,gas | 178.55 | J/mol×K | 545.99 | Joback Calculated Property |
| Cp,gas | 185.27 | J/mol×K | 579.21 | Joback Calculated Property |
| Cp,gas | 191.67 | J/mol×K | 612.43 | Joback Calculated Property |
| Cp,liquid | [203.05; 209.95] | J/mol×K | [293.15; 353.20] |
|
|
T(K) Liquid phase heat capacity (J/mol×K) 203 204 205 206 207 208 209 210 300 320 340 | ||||
| Cp,liquid | 203.05 | J/mol×K | 293.15 | Heat Ca... |
| Cp,liquid | 203.21 | J/mol×K | 294.65 | Heat Ca... |
| Cp,liquid | 203.37 | J/mol×K | 296.15 | Heat Ca... |
| Cp,liquid | 203.53 | J/mol×K | 297.65 | Heat Ca... |
| Cp,liquid | 203.59 | J/mol×K | 298.15 | Heat Ca... |
| Cp,liquid | 203.70 | J/mol×K | 299.15 | Heat Ca... |
| Cp,liquid | 203.86 | J/mol×K | 300.65 | Heat Ca... |
| Cp,liquid | 204.03 | J/mol×K | 302.15 | Heat Ca... |
| Cp,liquid | 203.70 | J/mol×K | 303.20 | Molar h... |
| Cp,liquid | 204.19 | J/mol×K | 303.65 | Heat Ca... |
| Cp,liquid | 204.36 | J/mol×K | 305.15 | Heat Ca... |
| Cp,liquid | 204.53 | J/mol×K | 306.65 | Heat Ca... |
| Cp,liquid | 204.70 | J/mol×K | 308.15 | Heat Ca... |
| Cp,liquid | 204.20 | J/mol×K | 308.20 | Molar h... |
| Cp,liquid | 204.87 | J/mol×K | 309.65 | Heat Ca... |
| Cp,liquid | 205.04 | J/mol×K | 311.15 | Heat Ca... |
| Cp,liquid | 205.21 | J/mol×K | 312.65 | Heat Ca... |
| Cp,liquid | 204.80 | J/mol×K | 313.20 | Molar h... |
| Cp,liquid | 205.38 | J/mol×K | 314.15 | Heat Ca... |
| Cp,liquid | 205.56 | J/mol×K | 315.65 | Heat Ca... |
| Cp,liquid | 205.73 | J/mol×K | 317.15 | Heat Ca... |
| Cp,liquid | 205.30 | J/mol×K | 318.20 | Molar h... |
| Cp,liquid | 205.91 | J/mol×K | 318.65 | Heat Ca... |
| Cp,liquid | 206.08 | J/mol×K | 320.15 | Heat Ca... |
| Cp,liquid | 206.26 | J/mol×K | 321.65 | Heat Ca... |
| Cp,liquid | 206.43 | J/mol×K | 323.15 | Heat Ca... |
| Cp,liquid | 205.90 | J/mol×K | 323.20 | Molar h... |
| Cp,liquid | 206.61 | J/mol×K | 324.65 | Heat Ca... |
| Cp,liquid | 206.79 | J/mol×K | 326.15 | Heat Ca... |
| Cp,liquid | 206.96 | J/mol×K | 327.65 | Heat Ca... |
| Cp,liquid | 206.50 | J/mol×K | 328.20 | Molar h... |
| Cp,liquid | 207.14 | J/mol×K | 329.15 | Heat Ca... |
| Cp,liquid | 207.32 | J/mol×K | 330.65 | Heat Ca... |
| Cp,liquid | 207.50 | J/mol×K | 332.15 | Heat Ca... |
| Cp,liquid | 207.10 | J/mol×K | 333.20 | Molar h... |
| Cp,liquid | 207.67 | J/mol×K | 333.65 | Heat Ca... |
| Cp,liquid | 207.85 | J/mol×K | 335.15 | Heat Ca... |
| Cp,liquid | 208.03 | J/mol×K | 336.65 | Heat Ca... |
| Cp,liquid | 208.20 | J/mol×K | 338.15 | Heat Ca... |
| Cp,liquid | 207.80 | J/mol×K | 338.20 | Molar h... |
| Cp,liquid | 208.38 | J/mol×K | 339.65 | Heat Ca... |
| Cp,liquid | 208.56 | J/mol×K | 341.15 | Heat Ca... |
| Cp,liquid | 208.73 | J/mol×K | 342.65 | Heat Ca... |
| Cp,liquid | 208.30 | J/mol×K | 343.20 | Molar h... |
| Cp,liquid | 208.91 | J/mol×K | 344.15 | Heat Ca... |
| Cp,liquid | 209.08 | J/mol×K | 345.65 | Heat Ca... |
| Cp,liquid | 209.26 | J/mol×K | 347.15 | Heat Ca... |
| Cp,liquid | 208.90 | J/mol×K | 348.20 | Molar h... |
| Cp,liquid | 209.43 | J/mol×K | 348.65 | Heat Ca... |
| Cp,liquid | 209.60 | J/mol×K | 350.15 | Heat Ca... |
| Cp,liquid | 209.78 | J/mol×K | 351.65 | Heat Ca... |
| Cp,liquid | 209.95 | J/mol×K | 353.15 | Heat Ca... |
| Cp,liquid | 209.50 | J/mol×K | 353.20 | Molar h... |
| ΔfusH | 12.19 | kJ/mol | 262.40 | NIST |
| ΔvapH | 40.85 | kJ/mol | 412.90 | NIST |
| Psub | [4.10e-04; 0.01] | kPa | [233.15; 255.66] |
|
|
T(K) Sublimation pressure (kPa) 0 2.00e-3 4.00e-3 6.00e-3 8.00e-3 0.01 0.01 0.01 0.02 240 250 | ||||
| Psub | 4.10e-04 | kPa | 233.15 | Thermod... |
| Psub | 4.10e-04 | kPa | 233.15 | Thermod... |
| Psub | 9.50e-04 | kPa | 238.12 | Thermod... |
| Psub | 9.50e-04 | kPa | 238.12 | Thermod... |
| Psub | 9.50e-04 | kPa | 238.12 | Thermod... |
| Psub | 2.11e-03 | kPa | 243.15 | Thermod... |
| Psub | 2.11e-03 | kPa | 243.15 | Thermod... |
| Psub | 2.11e-03 | kPa | 243.15 | Thermod... |
| Psub | 0.01 | kPa | 255.66 | Thermod... |
| Psub | 0.01 | kPa | 255.66 | Thermod... |
| Psub | 0.01 | kPa | 255.66 | Thermod... |
| Pvap | [0.32; 19.47] | kPa | [284.84; 364.78] |
|
|
T(K) Vapor pressure (kPa) 0 5 10 15 20 300 320 340 360 | ||||
| Pvap | 0.32 | kPa | 284.84 | Phase e... |
| Pvap | 0.32 | kPa | 284.84 | Phase e... |
| Pvap | 0.58 | kPa | 294.82 | Phase e... |
| Pvap | 1.83 | kPa | 314.79 | Phase e... |
| Pvap | 3.15 | kPa | 324.90 | Phase e... |
| Pvap | 5.17 | kPa | 334.87 | Phase e... |
| Pvap | 8.26 | kPa | 344.87 | Phase e... |
| Pvap | 12.67 | kPa | 354.83 | Phase e... |
| Pvap | 19.47 | kPa | 364.78 | Phase e... |
| ρl | 879.81 | kg/m3 | 298.15 | Excess ... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [312.49; 437.15] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.56499e+01 | |||
| Coefficient B | -3.94103e+03 | |||
| Coefficient C | -5.59500e+01 | |||
| Temperature range, min. | 312.49 | |||
| Temperature range, max. | 437.15 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 350 400 | ||||
| Pvap | 1.33 | kPa | 312.49 | Calculated Property |
| Pvap | 2.93 | kPa | 326.34 | Calculated Property |
| Pvap | 5.96 | kPa | 340.19 | Calculated Property |
| Pvap | 11.35 | kPa | 354.04 | Calculated Property |
| Pvap | 20.41 | kPa | 367.89 | Calculated Property |
| Pvap | 34.93 | kPa | 381.75 | Calculated Property |
| Pvap | 57.20 | kPa | 395.60 | Calculated Property |
| Pvap | 90.13 | kPa | 409.45 | Calculated Property |
| Pvap | 137.22 | kPa | 423.30 | Calculated Property |
| Pvap | 202.64 | kPa | 437.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Propanediamine.
Mixtures
- 1,3-Propanediamine + Water
- 1,3-Propanediamine + 1-Propanol
- 1,3-Propanediamine + Isopropyl Alcohol
- 1,3-Propanediamine + Piperazine + Water
Sources
- Crippen Method
- Crippen Method
- Thermodynamic study of alkane-alpha,omega-diamines - Evidence of odd-even pattern of sublimation properties
- Phase equilibrium properties of binary aqueous solutions containing ethanediamine, 1,2-diaminopropane, 1,3-diaminopropane, or 1,4-diaminobutane at several temperatures
- Vapor pressure and enthalpy of vaporization of linear aliphatic alkanediamines
- Excess enthalpies of binary mixtures of some propylamines + some propanols at 298.15K
- Molar heat capacity of aqueous solutions of 1,3-diaminopropane and 1,4-diaminobutane and their piperazine blends
- Critical Pressures and Temperatures of n-Diaminoalkanes (C2 to C12)
- 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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