- InChI
- InChI=1S/C10H17NO3/c1-11-7-3-2-4-8(11)9(5-7)14-10(13)6-12/h7-9,12H,2-6H2,1H3/t7-,8+,9-/m0/s1
- InChI Key
- XIYRPSDQEWSIRW-YIZRAAEISA-N
- Formula
- C10H17NO3
- SMILES
- CN1C2CCCC1C(OC(=O)CO)C2
- Molecular Weight1
- 199.25
- 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 | 0.6969 | Relay (... Calculated Property | |
| ΔfG° | -228.54 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -570.82 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 82.57 | kJ/mol | Relay (... Calculated Property |
| IE | 8.40 | eV | Relay (... Calculated Property |
| log10WS | -0.05 | Relay (... Calculated Property | |
| logPoct/wat | 0.147 | Crippen Calculated Property | |
| McVol | 153.330 | ml/mol | McGowan Calculated Property |
| Pc | 2665.13 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1438.00; 1438.00] |
|
|
| Inp | 1438.00 | NIST | |
| Inp | 1438.00 | NIST | |
| Tboil | 549.33 | K | Relay (... Calculated Property |
| Tc | 823.14 | K | Relay (... Calculated Property |
| Tfus | 366.28 | K | Relay (... Calculated Property |
| Vc | 0.548 | m3/kmol | Relay (... Calculated Property |
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)
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