- InChI
- InChI=1S/C7H11NO2/c9-8(10)6-7-4-2-1-3-5-7/h6H,1-5H2
- InChI Key
- JVQOIOZEAYCROA-UHFFFAOYSA-N
- Formula
- C7H11NO2
- SMILES
- O=[N+]([O-])C=C1CCCCC1
- Molecular Weight1
- 141.17
- CAS
- 27861-39-8
- 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 | 0.3792 | Relay (... Calculated Property | |
| ΔfG° | 121.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -36.72 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 16.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.23 | kJ/mol | Relay (... Calculated Property |
| IE | 9.84 | eV | Relay (... Calculated Property |
| log10WS | -2.63 | Relay (... Calculated Property | |
| logPoct/wat | 2.111 | Crippen Calculated Property | |
| McVol | 111.750 | ml/mol | McGowan Calculated Property |
| Pc | 3853.09 | kPa | Joback Calculated Property |
| Tboil | 492.88 | K | Relay (... Calculated Property |
| Tc | 725.14 | K | Relay (... Calculated Property |
| Tfus | 306.56 | K | Relay (... Calculated Property |
| Vc | 0.365 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [258.62; 331.87] | J/mol×K | [542.26; 790.41] | 
|
| Cp,gas | 258.62 | J/mol×K | 542.26 | Joback Calculated Property |
| Cp,gas | 273.31 | J/mol×K | 583.62 | Joback Calculated Property |
| Cp,gas | 286.93 | J/mol×K | 624.98 | Joback Calculated Property |
| Cp,gas | 299.54 | J/mol×K | 666.33 | Joback Calculated Property |
| Cp,gas | 311.20 | J/mol×K | 707.69 | Joback Calculated Property |
| Cp,gas | 321.96 | J/mol×K | 749.05 | Joback Calculated Property |
| Cp,gas | 331.87 | J/mol×K | 790.41 | Joback Calculated Property |
Similar Compounds
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Sources
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