- InChI
- InChI=1S/C10H19NO2/c1-3-4-8-13-10(12)9-6-5-7-11(9)2/h9H,3-8H2,1-2H3
- InChI Key
- TXARCVDUIMCSNN-UHFFFAOYSA-N
- Formula
- C10H19NO2
- SMILES
- CCCCOC(=O)C1CCCN1C
- Molecular Weight1
- 185.26
- Other Names
-
- Pro, N-methyl, butyl ester
- 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 | 0.5374 | Relay (... Calculated Property | |
| ΔfG° | -141.57 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -442.08 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 62.44 | kJ/mol | Relay (... Calculated Property |
| IE | 8.24 | eV | Relay (... Calculated Property |
| log10WS | -0.50 | Relay (... Calculated Property | |
| logPoct/wat | 1.424 | Crippen Calculated Property | |
| McVol | 158.320 | ml/mol | McGowan Calculated Property |
| Pc | 2388.82 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1328.00; 1328.00] |
|
|
| Inp | 1328.00 | NIST | |
| Inp | 1328.00 | NIST | |
| Tboil | 499.55 | K | Relay (... Calculated Property |
| Tc | 705.19 | K | Relay (... Calculated Property |
| Tfus | 261.18 | K | Relay (... Calculated Property |
| Vc | 0.581 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Proline, N-methyl-, butyl 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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