- 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-Propylenediamine
- 1,3-diaminopropane
- H2N(CH2)3NH2
- Propane-1,3-diamine
- trimethylenediamine
- ω : Acentric Factor.
- 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).
- 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).
- Psub : Sublimation pressure (kPa).
- Pvap : Vapor pressure (kPa).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- Ip : 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
Temperature Dependent Properties
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [109.87; 246.04] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.31430e+01 | |||
| Coefficient B | 4.12600e-01 | |||
| Coefficient C | -2.26200e-04 | |||
| Coefficient D | 4.65000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 109.87 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 132.86 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 153.54 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 172.06 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 188.57 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 203.21 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 216.13 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 227.48 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 237.40 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 246.04 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [312.49; 437.15] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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 | |||
| 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 + 1-Propanol
- 1,3-Propanediamine + 2-Propanol
- 1,3-Propanediamine + Water
- 1,3-Propanediamine + Piperazine + Water
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 9 ChEDL chemicals 1.5.2, from Marsh, K. N.; Young, C. L.; Morton, D. W.; Ambrose, D.; Tsonopoulos, C. Vapor-Liquid Critical Properties of Elements and Compounds. 9. Organic Compounds Containing Nitrogen. J. Chem. Eng. Data 2006, 51, 305-314.
- Cheméo Relay (1.0)
- 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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