- InChI
- InChI=1S/C10H11NO2/c11-10(13)7-6-9(12)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,13)
- InChI Key
- PNPJKWAGJXUHIQ-UHFFFAOYSA-N
- Formula
- C10H11NO2
- SMILES
- NC(=O)CCC(=O)c1ccccc1
- Molecular Weight1
- 177.20
- CAS
- 23132-29-8
- 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 | 0.6538 | Relay (... Calculated Property | |
| ΔfG° | -45.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -307.33 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 24.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.81 | kJ/mol | Relay (... Calculated Property |
| IE | 9.20 | eV | Relay (... Calculated Property |
| log10WS | -1.68 | Relay (... Calculated Property | |
| logPoct/wat | 1.135 | Crippen Calculated Property | |
| McVol | 141.120 | ml/mol | McGowan Calculated Property |
| Pc | 3611.55 | kPa | Joback Calculated Property |
| Tboil | 573.73 | K | Relay (... Calculated Property |
| Tc | 810.39 | K | Relay (... Calculated Property |
| Tfus | 392.27 | K | Relay (... Calculated Property |
| Vc | 0.512 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [348.02; 407.87] | J/mol×K | [635.15; 866.24] | 
|
| Cp,gas | 348.02 | J/mol×K | 635.15 | Joback Calculated Property |
| Cp,gas | 360.09 | J/mol×K | 673.66 | Joback Calculated Property |
| Cp,gas | 371.27 | J/mol×K | 712.18 | Joback Calculated Property |
| Cp,gas | 381.59 | J/mol×K | 750.69 | Joback Calculated Property |
| Cp,gas | 391.10 | J/mol×K | 789.21 | Joback Calculated Property |
| Cp,gas | 399.85 | J/mol×K | 827.72 | Joback Calculated Property |
| Cp,gas | 407.87 | J/mol×K | 866.24 | Joback Calculated Property |
Similar Compounds
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Sources
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