- InChI
- InChI=1S/C11H12N2O2/c1-9(14)15-11-7-8-13(12-11)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
- InChI Key
- KEKBLIAQVPGFMT-UHFFFAOYSA-N
- Formula
- C11H12N2O2
- SMILES
- CC(=O)OC1=NN(c2ccccc2)CC1
- Molecular Weight1
- 204.23
- CAS
- 2748-21-2
- ω : Acentric Factor.
- 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).
- 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 | 0.5762 | Relay (... Calculated Property | |
| ΔfG° | 33.44 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -131.32 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 84.20 | kJ/mol | Relay (... Calculated Property |
| IE | 7.76 | eV | Relay (... Calculated Property |
| log10WS | -1.94 | Relay (... Calculated Property | |
| logPoct/wat | 1.773 | Crippen Calculated Property | |
| McVol | 154.330 | ml/mol | McGowan Calculated Property |
| Pc | 3338.16 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 572.22 | K | Relay (... Calculated Property |
| Tc | 828.72 | K | Relay (... Calculated Property |
| Tfus | 304.77 | K | Relay (... Calculated Property |
| Vc | 0.567 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 1-Phenyl-3-acetoxy-2-pyrazoline.
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
- McGowan Method
- NIST Webbook
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