- InChI
- InChI=1S/C8H18N2/c1-3-9-7-5-6-8-10-4-2/h5-6,9-10H,3-4,7-8H2,1-2H3/b6-5+
- InChI Key
- YWWSWEIXJXYQJB-AATRIKPKSA-N
- Formula
- C8H18N2
- SMILES
- CCNCC=CCNCC
- Molecular Weight1
- 142.24
- CAS
- 112-21-0
- Other Names
-
- N,N'-Diethyl-2-butene-1,4-diamine
- N,N'-diethylbut-2-enylenediamine
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.4488 | Relay (1.0) Calculated Property | |
| ΔfG° | 275.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -44.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.01 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.762 | Crippen Calculated Property | |
| McVol | 139.240 | ml/mol | McGowan Calculated Property |
| Pc | 2746.90 | kPa | Joback Calculated Property |
| Tboil | 464.73 | K | Relay (1.0) Calculated Property |
| Tc | 625.45 | K | Relay (1.0) Calculated Property |
| Tfus | 242.67 | K | Relay (1.0) Calculated Property |
| Vc | 0.505 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 354.70 | K | 1.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [193.56; 475.25] | 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 | -2.09860e+01 | |||
| Coefficient B | 9.36240e-01 | |||
| Coefficient C | -5.92400e-04 | |||
| Coefficient D | 1.52400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 193.56 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 242.84 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 286.50 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 325.02 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 358.89 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 388.58 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 414.59 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 437.38 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 457.44 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 475.25 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butene-1,4-diamine, N,N'-diethyl-.
Sources
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