- InChI
- InChI=1S/C3H3NO/c1-2-5-3-4-1/h1-3H
- InChI Key
- ZCQWOFVYLHDMMC-UHFFFAOYSA-N
- Formula
- C3H3NO
- SMILES
- c1cocn1
- Molecular Weight1
- 69.06
- CAS
- 288-42-6
- Other Names
-
- 1,3-OXAZOLE
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 876.40 | kJ/mol | NIST |
| BasG | 844.50 | kJ/mol | NIST |
| ΔcH°liquid | -1561.30 ± 0.50 | kJ/mol | NIST |
| ΔfH°gas | -15.50 ± 0.54 | kJ/mol | NIST |
| ΔfH°liquid | -48.03 ± 0.54 | kJ/mol | NIST |
| ΔvapH° | [32.50; 32.50] | kJ/mol |
|
| ΔvapH° | 32.50 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 32.50 ± 0.10 | kJ/mol | NIST |
| IE | [9.60; 10.15] | eV |
|
| IE | 9.90 | eV | NIST |
| IE | 9.60 | eV | NIST |
| IE | 10.15 | eV | NIST |
| log10WS | -4.97 | Crippen Calculated Property | |
| logPoct/wat | 0.675 | Crippen Calculated Property | |
| McVol | 49.520 | ml/mol | McGowan Calculated Property |
| Pc | 6770.00 | kPa | Critica... |
| Inp | [97.30; 580.00] |
|
|
| Inp | 580.00 | NIST | |
| Inp | 538.00 | NIST | |
| Inp | 580.00 | NIST | |
| Inp | 580.00 | NIST | |
| Inp | 97.30 | NIST | |
| Inp | 97.30 | NIST | |
| Inp | 580.00 | NIST | |
| I | [1019.00; 1019.00] |
|
|
| I | 1019.00 | NIST | |
| I | 1019.00 | NIST | |
| I | 1019.00 | NIST | |
| Tboil | [342.70; 342.71] | K |
|
| Tboil | 342.70 | K | NIST |
| Tboil | 342.71 ± 0.20 | K | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 34.60 | kJ/mol | 318.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [250.74; 365.25] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.47512e+01 | |||
| Coefficient B | -3.11216e+03 | |||
| Coefficient C | -3.55670e+01 | |||
| Temperature range, min. | 250.74 | |||
| Temperature range, max. | 365.25 | |||
| Pvap | 1.33 | kPa | 250.74 | Calculated Property |
| Pvap | 2.99 | kPa | 263.46 | Calculated Property |
| Pvap | 6.16 | kPa | 276.19 | Calculated Property |
| Pvap | 11.79 | kPa | 288.91 | Calculated Property |
| Pvap | 21.21 | kPa | 301.63 | Calculated Property |
| Pvap | 36.17 | kPa | 314.36 | Calculated Property |
| Pvap | 58.87 | kPa | 327.08 | Calculated Property |
| Pvap | 92.00 | kPa | 339.80 | Calculated Property |
| Pvap | 138.72 | kPa | 352.53 | Calculated Property |
| Pvap | 202.63 | kPa | 365.25 | Calculated Property |
Similar Compounds
Find more compounds similar to Oxazole.
Sources
- Crippen Method
- Crippen Method
- Critical Point and Vapor Pressure Measurements for 17 Compounds by a Low Residence Time Flow Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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. Take the time to validate and double check the source of the data.