- InChI
- InChI=1S/C9H11NO3/c1-13-9-3-2-6(4-7(9)11)8(12)5-10/h2-4,11H,5,10H2,1H3
- InChI Key
- UHQNBTSHGKWCMC-UHFFFAOYSA-N
- Formula
- C9H11NO3
- SMILES
- COc1ccc(C(=O)CN)cc1O
- Molecular Weight1
- 181.19
- CAS
- 90765-44-9
- 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).
- 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° | -194.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -392.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.38 | kJ/mol | Joback Calculated Property |
| log10WS | -1.23 | Crippen Calculated Property | |
| logPoct/wat | 0.542 | Crippen Calculated Property | |
| McVol | 137.200 | ml/mol | McGowan Calculated Property |
| Pc | 4362.63 | kPa | Joback Calculated Property |
| Tboil | 666.42 | K | Joback Calculated Property |
| Tc | 901.76 | K | Joback Calculated Property |
| Tfus | 497.27 | K | Joback Calculated Property |
| Vc | 0.451 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [354.97; 409.86] | J/mol×K | [666.42; 901.76] | 
|
| Cp,gas | 354.97 | J/mol×K | 666.42 | Joback Calculated Property |
| Cp,gas | 365.65 | J/mol×K | 705.64 | Joback Calculated Property |
| Cp,gas | 375.62 | J/mol×K | 744.87 | Joback Calculated Property |
| Cp,gas | 384.97 | J/mol×K | 784.09 | Joback Calculated Property |
| Cp,gas | 393.75 | J/mol×K | 823.31 | Joback Calculated Property |
| Cp,gas | 402.03 | J/mol×K | 862.54 | Joback Calculated Property |
| Cp,gas | 409.86 | J/mol×K | 901.76 | Joback Calculated Property |
Similar Compounds
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Sources
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