- InChI
- InChI=1S/C5H9NO/c1-2-5-6-3-4-7-5/h2-4H2,1H3
- InChI Key
- NYEZZYQZRQDLEH-UHFFFAOYSA-N
- Formula
- C5H9NO
- SMILES
- CCC1=NCCO1
- Molecular Weight1
- 99.13
- CAS
- 10431-98-8
- Other Names
-
- 2-Ethyl-2-oxazoline
- 2-Ethyloxazoline
- 2-Oxazoline, 2-ethyl-
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | -3060.60 ± 1.00 | kJ/mol | NIST |
| ΔfH°gas | -148.90 ± 1.20 | kJ/mol | NIST |
| ΔfH°liquid | -193.10 ± 1.10 | kJ/mol | NIST |
| ΔfusH° | 15.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [44.20; 44.22] | kJ/mol |
|
| ΔvapH° | 44.22 ± 0.42 | kJ/mol | NIST |
| ΔvapH° | 44.20 ± 0.40 | kJ/mol | NIST |
| logPoct/wat | 0.825 | Crippen Calculated Property | |
| McVol | 82.000 | ml/mol | McGowan Calculated Property |
| Inp | [759.00; 759.00] |
|
|
| Inp | 759.00 | NIST | |
| Inp | 759.00 | NIST | |
| Tboil | 401.60 | K | NIST |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [165.31; 229.67] | J/mol×K | [418.74; 635.15] |
|
| Cp,gas | 165.31 | J/mol×K | 418.74 | Joback Calculated Property |
| Cp,gas | 177.49 | J/mol×K | 454.81 | Joback Calculated Property |
| Cp,gas | 189.08 | J/mol×K | 490.88 | Joback Calculated Property |
| Cp,gas | 200.08 | J/mol×K | 526.95 | Joback Calculated Property |
| Cp,gas | 210.51 | J/mol×K | 563.01 | Joback Calculated Property |
| Cp,gas | 220.37 | J/mol×K | 599.08 | Joback Calculated Property |
| Cp,gas | 229.67 | J/mol×K | 635.15 | Joback Calculated Property |
| ΔsubH | 74.50 | kJ/mol | 302.50 | NIST |
Similar Compounds
Find more compounds similar to Oxazole, 2-ethyl-4,5-dihydro-.
Sources
- 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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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