- InChI
- InChI=1S/C5H11N/c1-3-5-6-4-2/h3,6H,1,4-5H2,2H3
- InChI Key
- PUUULGNNRPBVBA-UHFFFAOYSA-N
- Formula
- C5H11N
- SMILES
- C=CCNCC
- Molecular Weight1
- 85.15
- Other Names
-
- N-ethylallylamine
- 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).
- Inp : Non-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 |
|---|---|---|---|
| ω | 0.2870 | Relay (1.0) Calculated Property | |
| ΔfG° | 168.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 44.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.35 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.782 | Crippen Calculated Property | |
| McVol | 86.990 | ml/mol | McGowan Calculated Property |
| Pc | 3704.46 | kPa | Joback Calculated Property |
| Inp | [640.00; 640.00] |
|
|
| Inp | 640.00 | NIST | |
| Inp | 640.00 | NIST | |
| Tboil | 353.06 | K | Relay (1.0) Calculated Property |
| Tc | 518.95 | K | Relay (1.0) Calculated Property |
| Tfus | 168.49 | K | Relay (1.0) Calculated Property |
| Vc | 0.314 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [117.93; 285.66] | 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 | -5.85800e+00 | |||
| Coefficient B | 5.35020e-01 | |||
| Coefficient C | -3.19700e-04 | |||
| Coefficient D | 7.62000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 117.93 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 146.78 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 172.52 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 195.38 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 215.61 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 233.44 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 249.13 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 262.89 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 274.99 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 285.66 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Allylethylamine.
Sources
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