- InChI
- InChI=1S/C11H13NO/c13-9-10-3-5-11(6-4-10)12-7-1-2-8-12/h3-6,9H,1-2,7-8H2
- InChI Key
- DATXHLPRESKQJK-UHFFFAOYSA-N
- Formula
- C11H13NO
- SMILES
- O=Cc1ccc(N2CCCC2)cc1
- Molecular Weight1
- 175.23
- CAS
- 51980-54-2
- Other Names
-
- Benzaldehyde, 4-(1-pyrrolidinyl)-
- 4-Pyrrolidinnobenzaldehyde
- 4-(1-pyrrolidinyl)benzaldehyde
- 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).
- 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 | 0.5249 | Relay (1.0) Calculated Property | |
| ΔfG° | 131.69 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -56.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 75.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.099 | Crippen Calculated Property | |
| McVol | 142.780 | ml/mol | McGowan Calculated Property |
| Pc | 3370.67 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 578.20 | K | Relay (1.0) Calculated Property |
| Tc | 828.08 | K | Relay (1.0) Calculated Property |
| Tfus | 333.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.510 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
![N-[2-Amino-4-(trifluoromethyl)phenyl]pyrrolidine.](data:image/png;base64,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)
Find more compounds similar to 4-Pyrrolidinobenzaldehyde.
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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