- InChI
- InChI=1S/C9H14N2O/c1-8(11-10)7-12-9-5-3-2-4-6-9/h2-6,8,11H,7,10H2,1H3
- InChI Key
- QNEXFJFTGQBXBJ-UHFFFAOYSA-N
- Formula
- C9H14N2O
- SMILES
- CC(COc1ccccc1)NN
- Molecular Weight1
- 166.22
- CAS
- 3818-37-9
- 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° | 185.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -42.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.00 | kJ/mol | Joback Calculated Property |
| log10WS | -2.15 | Crippen Calculated Property | |
| logPoct/wat | 0.917 | Crippen Calculated Property | |
| McVol | 139.740 | ml/mol | McGowan Calculated Property |
| Pc | 3501.28 | kPa | Joback Calculated Property |
| Inp | [1468.00; 1468.00] |
|
|
| Inp | 1468.00 | NIST | |
| Inp | 1468.00 | NIST | |
| Tboil | 576.68 | K | Joback Calculated Property |
| Tc | 798.25 | K | Joback Calculated Property |
| Tfus | 360.76 | K | Joback Calculated Property |
| Vc | 0.507 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [343.03; 414.90] | J/mol×K | [576.68; 798.25] |
|
| Cp,gas | 343.03 | J/mol×K | 576.68 | Joback Calculated Property |
| Cp,gas | 357.11 | J/mol×K | 613.61 | Joback Calculated Property |
| Cp,gas | 370.30 | J/mol×K | 650.54 | Joback Calculated Property |
| Cp,gas | 382.66 | J/mol×K | 687.46 | Joback Calculated Property |
| Cp,gas | 394.19 | J/mol×K | 724.39 | Joback Calculated Property |
| Cp,gas | 404.93 | J/mol×K | 761.32 | Joback Calculated Property |
| Cp,gas | 414.90 | J/mol×K | 798.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenoxypropazine.
Sources
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