- InChI
- InChI=1S/C9H11NO2/c1-7(11)10(2)8-3-5-9(12)6-4-8/h3-6,12H,1-2H3
- InChI Key
- STOAGEBURGENGQ-UHFFFAOYSA-N
- Formula
- C9H11NO2
- SMILES
- CC(=O)N(C)c1ccc(O)cc1
- Molecular Weight1
- 165.19
- CAS
- 579-58-8
- 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).
- 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° | -35.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -214.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.71 | kJ/mol | Joback Calculated Property |
| log10WS | -1.12 | Crippen Calculated Property | |
| logPoct/wat | 1.375 | Crippen Calculated Property | |
| McVol | 131.330 | ml/mol | McGowan Calculated Property |
| Pc | 4211.09 | kPa | Joback Calculated Property |
| Tboil | 578.93 | K | Joback Calculated Property |
| Tc | 806.07 | K | Joback Calculated Property |
| Tfus | 411.73 | K | Joback Calculated Property |
| Vc | 0.421 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [316.02; 376.80] | J/mol×K | [578.93; 806.07] | 
|
| Cp,gas | 316.02 | J/mol×K | 578.93 | Joback Calculated Property |
| Cp,gas | 328.16 | J/mol×K | 616.79 | Joback Calculated Property |
| Cp,gas | 339.38 | J/mol×K | 654.64 | Joback Calculated Property |
| Cp,gas | 349.76 | J/mol×K | 692.50 | Joback Calculated Property |
| Cp,gas | 359.39 | J/mol×K | 730.36 | Joback Calculated Property |
| Cp,gas | 368.37 | J/mol×K | 768.22 | Joback Calculated Property |
| Cp,gas | 376.80 | J/mol×K | 806.07 | Joback Calculated Property |
Similar Compounds
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Sources
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