- InChI
- InChI=1S/C11H12N2O2/c1-13(2)11-12-10(14)9(15-11)8-6-4-3-5-7-8/h3-7,9H,1-2H3
- InChI Key
- JJSHYECKYLDYAR-UHFFFAOYSA-N
- Formula
- C11H12N2O2
- SMILES
- CN(C)C1=NC(=O)C(c2ccccc2)O1
- Molecular Weight1
- 204.23
- CAS
- 655-05-0
- Other Names
-
- 2-(Dimethylamino)-5-phenyl-2-oxazolin-4-one
- CL 39808
- Stimsen
- Tozalinone
- 2-Oxazolin-4-one, 2-(dimethylamino)-5-phenyl-
- 4(5H)-Oxazolone, 2-(dimethylamino)-5-phenyl-
- 5-Phenyl-2-(dimethylamino)-2-oxazolin-4-one
- Dimethyl derivative of Pemoline
- 2-(Dimethylamino)-5-phenyl-1,3-oxazol-4(5H)-one
- NSC 170962
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 229.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -58.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.58 | kJ/mol | Joback Calculated Property |
| log10WS | -1.47 | Crippen Calculated Property | |
| logPoct/wat | 1.202 | Crippen Calculated Property | |
| McVol | 154.330 | ml/mol | McGowan Calculated Property |
| Pc | 3392.03 | kPa | Joback Calculated Property |
| Inp | [2040.00; 2040.00] |
|
|
| Inp | 2040.00 | NIST | |
| Inp | 2040.00 | NIST | |
| Tboil | 658.09 | K | Joback Calculated Property |
| Tc | 912.26 | K | Joback Calculated Property |
| Tfus | 463.13 | K | Joback Calculated Property |
| Vc | 0.566 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [428.22; 511.41] | J/mol×K | [658.09; 912.26] |
|
| Cp,gas | 428.22 | J/mol×K | 658.09 | Joback Calculated Property |
| Cp,gas | 445.58 | J/mol×K | 700.45 | Joback Calculated Property |
| Cp,gas | 461.54 | J/mol×K | 742.81 | Joback Calculated Property |
| Cp,gas | 476.09 | J/mol×K | 785.17 | Joback Calculated Property |
| Cp,gas | 489.25 | J/mol×K | 827.53 | Joback Calculated Property |
| Cp,gas | 501.02 | J/mol×K | 869.90 | Joback Calculated Property |
| Cp,gas | 511.41 | J/mol×K | 912.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Thozalinone.
Sources
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