- InChI
- InChI=1S/C8H13NO/c1-2-4-8(10)7-5-3-6-9-7/h2-6H2,1H3
- InChI Key
- HKVIHNPWRLQVTI-UHFFFAOYSA-N
- Formula
- C8H13NO
- SMILES
- CCCC(=O)C1=NCCC1
- Molecular Weight1
- 139.19
- 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° | 68.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -122.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.88 | kJ/mol | Joback Calculated Property |
| log10WS | -1.51 | Crippen Calculated Property | |
| logPoct/wat | 1.590 | Crippen Calculated Property | |
| McVol | 119.970 | ml/mol | McGowan Calculated Property |
| Pc | 3509.58 | kPa | Joback Calculated Property |
| Inp | 1118.00 | NIST | |
| Tboil | 514.10 | K | Joback Calculated Property |
| Tc | 733.02 | K | Joback Calculated Property |
| Tfus | 329.81 | K | Joback Calculated Property |
| Vc | 0.467 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [280.15; 358.83] | J/mol×K | [514.10; 733.02] | 
|
| Cp,gas | 280.15 | J/mol×K | 514.10 | Joback Calculated Property |
| Cp,gas | 295.33 | J/mol×K | 550.59 | Joback Calculated Property |
| Cp,gas | 309.66 | J/mol×K | 587.07 | Joback Calculated Property |
| Cp,gas | 323.16 | J/mol×K | 623.56 | Joback Calculated Property |
| Cp,gas | 335.84 | J/mol×K | 660.05 | Joback Calculated Property |
| Cp,gas | 347.73 | J/mol×K | 696.54 | Joback Calculated Property |
| Cp,gas | 358.83 | J/mol×K | 733.02 | Joback Calculated Property |
Similar Compounds
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Sources
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