- InChI
- InChI=1S/C8H13NO2/c10-5-8-6-2-1-3-9(6)4-7(8)11-8/h6-7,10H,1-5H2/t6?,7-,8+/m1/s1
- InChI Key
- FRPJEHRSJNAWEI-VVXQKDJTSA-N
- Formula
- C8H13NO2
- SMILES
- OCC12OC1CN1CCCC12
- Molecular Weight1
- 155.19
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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.
- 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 | 0.5653 | Relay (... Calculated Property | |
| ΔfG° | -107.21 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -213.89 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 85.68 | kJ/mol | Relay (... Calculated Property |
| IE | 8.31 | eV | Relay (... Calculated Property |
| log10WS | -0.26 | Relay (... Calculated Property | |
| logPoct/wat | -0.406 | Crippen Calculated Property | |
| McVol | 112.720 | ml/mol | McGowan Calculated Property |
| Pc | 3306.58 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 1360.00 | NIST | |
| Tboil | 509.96 | K | Relay (... Calculated Property |
| Tc | 794.00 | K | Relay (... Calculated Property |
| Tfus | 390.10 | K | Relay (... Calculated Property |
| Vc | 0.435 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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