- InChI
- InChI=1S/C7H13NO2/c1-10-5-7-3-2-4-8(7)6-9/h6-7H,2-5H2,1H3/t7-/m1/s1
- InChI Key
- JNIOQRWRORXADR-SSDOTTSWSA-N
- Formula
- C7H13NO2
- SMILES
- COCC1CCCN1C=O
- Molecular Weight1
- 143.18
- CAS
- 63126-45-4
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.4285 | Relay (1.0) Calculated Property | |
| ΔfG° | -62.80 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -313.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 67.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.17 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.254 | Crippen Calculated Property | |
| McVol | 116.050 | ml/mol | McGowan Calculated Property |
| Pc | 3578.57 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 529.78 | K | Relay (1.0) Calculated Property |
| Tc | 732.26 | K | Relay (1.0) Calculated Property |
| Tfus | 234.09 | K | Relay (1.0) Calculated Property |
| Vc | 0.399 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 340.20 | K | 0.04 | NIST |
Similar Compounds
Find more compounds similar to (S)-(-)-2-(Methoxymethyl)-1-pyrrolidinecarboxaldehyde.
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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