- InChI
- InChI=1S/C5H11NO/c1-3-5(6)7-4-2/h6H,3-4H2,1-2H3/b6-5+
- InChI Key
- VBZCVIBBTVSYSO-UHFFFAOYSA-N
- Formula
- C5H11NO
- SMILES
- CCOC(=N)CC
- Molecular Weight1
- 101.15
- 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).
- 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 | 0.4782 | Relay (1.0) Calculated Property | |
| ΔfG° | 89.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -280.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 44.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.410 | Crippen Calculated Property | |
| McVol | 92.860 | ml/mol | McGowan Calculated Property |
| Pc | 3584.61 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 728.00 | NIST | |
| Tboil | 426.50 | K | Relay (1.0) Calculated Property |
| Tc | 577.79 | K | Relay (1.0) Calculated Property |
| Tfus | 243.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.347 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [126.89; 304.86] | 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 | 2.34200e+00 | |||
| Coefficient B | 5.24520e-01 | |||
| Coefficient C | -2.60800e-04 | |||
| Coefficient D | 3.88000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 126.89 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 156.98 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 184.21 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 208.69 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 230.56 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 249.92 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 266.91 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 281.65 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 294.26 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 304.86 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl iminopropanoate.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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