- InChI
- InChI=1S/C11H13NO3/c13-11(9-3-5-12-6-4-9)15-8-10-2-1-7-14-10/h3-6,10H,1-2,7-8H2
- InChI Key
- UALDAZFAVQFVDG-UHFFFAOYSA-N
- Formula
- C11H13NO3
- SMILES
- O=C(OCC1CCCO1)c1ccncc1
- Molecular Weight1
- 207.23
- 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 | 0.5818 | Relay (... Calculated Property | |
| ΔfG° | -135.13 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -359.35 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 83.10 | kJ/mol | Relay (... Calculated Property |
| IE | 9.52 | eV | Relay (... Calculated Property |
| log10WS | -1.09 | Relay (... Calculated Property | |
| logPoct/wat | 1.417 | Crippen Calculated Property | |
| McVol | 154.520 | ml/mol | McGowan Calculated Property |
| Pc | 2673.20 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 1648.00 | NIST | |
| Tboil | 594.37 | K | Relay (... Calculated Property |
| Tc | 819.24 | K | Relay (... Calculated Property |
| Tfus | 311.80 | K | Relay (... Calculated Property |
| Vc | 0.574 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Isonicotinic acid, 2-tetrahydrofurylmethyl ester.
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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