- InChI
- InChI=1S/C11H14N2O/c1-11(2)8-13(12-10(11)14)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,12,14)
- InChI Key
- SJSJAWHHGDPBOC-UHFFFAOYSA-N
- Formula
- C11H14N2O
- SMILES
- CC1(C)CN(c2ccccc2)NC1=O
- Molecular Weight1
- 190.24
- CAS
- 2654-58-2
- Other Names
-
- 4,4-dimethyl-1-phenyl-3-pyrazolidone
- 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 | 0.4796 | Relay (1.0) Calculated Property | |
| ΔfG° | 152.13 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -47.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 83.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.564 | Crippen Calculated Property | |
| McVol | 152.760 | ml/mol | McGowan Calculated Property |
| Pc | 3034.13 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 566.02 | K | Relay (1.0) Calculated Property |
| Tc | 817.24 | K | Relay (1.0) Calculated Property |
| Tfus | 404.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.555 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1-Phenyl-4,4-dimethyl-3-pyrazolidone.
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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