- InChI
- InChI=1S/C9H11NO/c1-2-9(11-5-1)6-8-3-4-10-7-8/h1-2,5-6,10H,3-4,7H2/b8-6-
- InChI Key
- PNXWYJGINUMYJQ-VURMDHGXSA-N
- Formula
- C9H11NO
- SMILES
- C(=C1CCNC1)c1ccco1
- Molecular Weight1
- 149.19
- 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).
- 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 | 0.3981 | Relay (1.0) Calculated Property | |
| ΔfG° | 146.48 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 57.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 72.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.656 | Crippen Calculated Property | |
| McVol | 118.900 | ml/mol | McGowan Calculated Property |
| Pc | 3926.48 | kPa | Relay (1.0-beta) Calculated Property |
| I | [2045.00; 2050.00] |
|
|
| I | 2045.00 | NIST | |
| I | 2050.00 | NIST | |
| I | 2045.00 | NIST | |
| Tboil | 511.38 | K | Relay (1.0) Calculated Property |
| Tc | 726.34 | K | Relay (1.0) Calculated Property |
| Tfus | 296.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.435 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3-furfurylidenepyrrolidine.
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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