- InChI
- InChI=1S/C9H12N2O/c1-11(7-9(10)12)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,10,12)
- InChI Key
- KOLJBMDKZNAERJ-UHFFFAOYSA-N
- Formula
- C9H12N2O
- SMILES
- CN(CC(N)=O)c1ccccc1
- Molecular Weight1
- 164.20
- CAS
- 21911-76-2
- ω : Acentric Factor.
- 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).
- 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 | 0.6021 | Relay (1.0) Calculated Property | |
| ΔfG° | 185.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -106.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.608 | Crippen Calculated Property | |
| McVol | 135.440 | ml/mol | McGowan Calculated Property |
| Pc | 3749.97 | kPa | Joback Calculated Property |
| Tboil | 551.06 | K | Relay (1.0) Calculated Property |
| Tc | 793.67 | K | Relay (1.0) Calculated Property |
| Tfus | 360.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.479 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [322.46; 389.45] | J/mol×K | [570.84; 795.51] | 
|
| Cp,gas | 322.46 | J/mol×K | 570.84 | Joback Calculated Property |
| Cp,gas | 335.85 | J/mol×K | 608.28 | Joback Calculated Property |
| Cp,gas | 348.28 | J/mol×K | 645.73 | Joback Calculated Property |
| Cp,gas | 359.80 | J/mol×K | 683.17 | Joback Calculated Property |
| Cp,gas | 370.47 | J/mol×K | 720.62 | Joback Calculated Property |
| Cp,gas | 380.34 | J/mol×K | 758.06 | Joback Calculated Property |
| Cp,gas | 389.45 | J/mol×K | 795.51 | Joback Calculated Property |
Similar Compounds
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Sources
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