- InChI
- InChI=1S/C7H11NO2/c1-10-7(9)6-3-2-4-8-5-6/h2-3,6,8H,4-5H2,1H3
- InChI Key
- UQTWITUUILHZFF-UHFFFAOYSA-N
- Formula
- C7H11NO2
- SMILES
- COC(=O)C1C=CCNC1
- Molecular Weight1
- 141.17
- CAS
- 121743-23-5
- 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).
- Inp : Non-polar retention indices.
- 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° | -83.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -282.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.81 | kJ/mol | Joback Calculated Property |
| log10WS | -0.31 | Crippen Calculated Property | |
| logPoct/wat | -0.065 | Crippen Calculated Property | |
| McVol | 111.750 | ml/mol | McGowan Calculated Property |
| Pc | 4015.93 | kPa | Joback Calculated Property |
| Inp | [1164.20; 1164.20] |
|
|
| Inp | 1164.20 | NIST | |
| Inp | 1164.20 | NIST | |
| Tboil | 503.11 | K | Joback Calculated Property |
| Tc | 726.09 | K | Joback Calculated Property |
| Tfus | 353.98 | K | Joback Calculated Property |
| Vc | 0.407 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [244.74; 318.12] | J/mol×K | [503.11; 726.09] |
|
| Cp,gas | 244.74 | J/mol×K | 503.11 | Joback Calculated Property |
| Cp,gas | 258.73 | J/mol×K | 540.27 | Joback Calculated Property |
| Cp,gas | 272.01 | J/mol×K | 577.44 | Joback Calculated Property |
| Cp,gas | 284.60 | J/mol×K | 614.60 | Joback Calculated Property |
| Cp,gas | 296.48 | J/mol×K | 651.76 | Joback Calculated Property |
| Cp,gas | 307.65 | J/mol×K | 688.93 | Joback Calculated Property |
| Cp,gas | 318.12 | J/mol×K | 726.09 | Joback Calculated Property |
Similar Compounds
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Sources
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