- InChI
- InChI=1S/C9H17NO2/c1-3-12-9(11)8-5-4-6-10(2)7-8/h8H,3-7H2,1-2H3
- InChI Key
- VFJJNMLPRDRTCO-UHFFFAOYSA-N
- Formula
- C9H17NO2
- SMILES
- CCOC(=O)C1CCCN(C)C1
- Molecular Weight1
- 171.24
- CAS
- 5166-67-6
- Other Names
-
- Ethyl 1-methyl-3-piperidinecarboxylate
- 3-Piperidinecarboxylic acid, 1-methyl-, ethyl ester
- Ethyl 1-methylnipecotate
- ethyl 1-methylpiperidine-3-carboxylate
- 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 | 0.4531 | Relay (1.0) Calculated Property | |
| ΔfG° | -144.53 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -422.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 62.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.891 | Crippen Calculated Property | |
| McVol | 144.230 | ml/mol | McGowan Calculated Property |
| Pc | 2556.46 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 476.05 | K | Relay (1.0) Calculated Property |
| Tc | 688.01 | K | Relay (1.0) Calculated Property |
| Tfus | 281.56 | K | Relay (1.0) Calculated Property |
| Vc | 0.519 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 361.70 | K | 1.50 | NIST |
Similar Compounds
Find more compounds similar to 1-Methylpiperidine-3-carboxylic acid ethyl 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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