- InChI
- InChI=1S/C7H11NO/c1-6(9)7-4-2-3-5-8-7/h2-5H2,1H3
- InChI Key
- GNZWXNKZMHJXNU-UHFFFAOYSA-N
- Formula
- C7H11NO
- SMILES
- CC(=O)C1=NCCCC1
- Molecular Weight1
- 125.17
- CAS
- 27300-27-2
- 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).
- Inp : Non-polar retention indices.
- I : 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 |
|---|---|---|---|
| ω | 0.3663 | Relay (1.0) Calculated Property | |
| ΔfG° | 48.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -131.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.02 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.200 | Crippen Calculated Property | |
| McVol | 105.880 | ml/mol | McGowan Calculated Property |
| Pc | 4072.51 | kPa | Joback Calculated Property |
| Inp | [1110.00; 1110.00] |
|
|
| Inp | 1110.00 | NIST | |
| Inp | 1110.00 | NIST | |
| Inp | 1110.00 | NIST | |
| I | [1585.00; 1619.00] |
|
|
| I | 1585.00 | NIST | |
| I | 1619.00 | NIST | |
| Tboil | 470.25 | K | Relay (1.0) Calculated Property |
| Tc | 727.10 | K | Relay (1.0) Calculated Property |
| Tfus | 301.73 | K | Relay (1.0) Calculated Property |
| Vc | 0.377 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [235.69; 313.98] | J/mol×K | [495.49; 726.87] |
|
| Cp,gas | 235.69 | J/mol×K | 495.49 | Joback Calculated Property |
| Cp,gas | 250.87 | J/mol×K | 534.05 | Joback Calculated Property |
| Cp,gas | 265.18 | J/mol×K | 572.62 | Joback Calculated Property |
| Cp,gas | 278.64 | J/mol×K | 611.18 | Joback Calculated Property |
| Cp,gas | 291.26 | J/mol×K | 649.74 | Joback Calculated Property |
| Cp,gas | 303.03 | J/mol×K | 688.31 | Joback Calculated Property |
| Cp,gas | 313.98 | J/mol×K | 726.87 | Joback Calculated Property |
Similar Compounds
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Sources
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