- InChI
- InChI=1S/C5H14N2/c1-2-4-7-5-3-6/h7H,2-6H2,1H3
- InChI Key
- CFNHVUGPXZUTRR-UHFFFAOYSA-N
- Formula
- C5H14N2
- SMILES
- CCCNCCN
- Molecular Weight1
- 102.18
- CAS
- 111-39-7
- Other Names
-
- Ethylenediamine, N-propyl-
- N-Propylethylenediamine
- N-n-Propylethylenediamine
- ω : Acentric Factor.
- Cp,gas : Ideal gas 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).
- ΔvapH° : Enthalpy of vaporization at standard conditions (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).
- 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 |
|---|---|---|---|
| ω | 0.4953 | Relay (1.0) Calculated Property | |
| ΔfG° | 147.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -82.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.71 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.055 | Crippen Calculated Property | |
| McVol | 101.270 | ml/mol | McGowan Calculated Property |
| Pc | 3773.04 | kPa | Joback Calculated Property |
| Tboil | 421.70 | K | NIST |
| Tc | 598.42 | K | Relay (1.0) Calculated Property |
| Tfus | 203.44 | K | Relay (1.0) Calculated Property |
| Vc | 0.367 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [148.11; 350.14] | 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 | 3.62400e+00 | |||
| Coefficient B | 6.16920e-01 | |||
| Coefficient C | -3.40200e-04 | |||
| Coefficient D | 6.98000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 148.11 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 182.39 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 213.19 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 240.75 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 265.27 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 286.99 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 306.11 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 322.86 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 337.47 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 350.14 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [319.32; 446.04] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.56567e+01 | |||
| Coefficient B | -4.01059e+03 | |||
| Coefficient C | -5.83690e+01 | |||
| Temperature range, min. | 319.32 | |||
| Temperature range, max. | 446.04 | |||
| Pvap | 1.33 | kPa | 319.32 | Calculated Property |
| Pvap | 2.93 | kPa | 333.40 | Calculated Property |
| Pvap | 5.96 | kPa | 347.48 | Calculated Property |
| Pvap | 11.35 | kPa | 361.56 | Calculated Property |
| Pvap | 20.41 | kPa | 375.64 | Calculated Property |
| Pvap | 34.92 | kPa | 389.72 | Calculated Property |
| Pvap | 57.19 | kPa | 403.80 | Calculated Property |
| Pvap | 90.11 | kPa | 417.88 | Calculated Property |
| Pvap | 137.21 | kPa | 431.96 | Calculated Property |
| Pvap | 202.63 | kPa | 446.04 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Ethanediamine, N-propyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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