- InChI
- InChI=1S/C8H13NO3/c1-2-12-8(11)6-4-3-5-9-7(6)10/h6H,2-5H2,1H3,(H,9,10)
- InChI Key
- DUMNOWYWTAYLJN-UHFFFAOYSA-N
- Formula
- C8H13NO3
- SMILES
- CCOC(=O)C1CCCNC1=O
- Molecular Weight1
- 171.19
- CAS
- 3731-16-6
- Other Names
-
- 3-Ethoxycarbonyl-2-piperidone
- 3-Carbethoxy piperidone-2
- 3-Piperidinecarboxylic acid, 2-oxo-, ethyl ester
- Nipecotic acid, 2-oxo-, ethyl ester
- ethyl 2-oxopiperidine-3-carboxylate
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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 | 0.5008 | Relay (1.0) Calculated Property | |
| ΔfG° | -227.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -610.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.076 | Crippen Calculated Property | |
| McVol | 131.710 | ml/mol | McGowan Calculated Property |
| Pc | 3564.27 | kPa | Joback Calculated Property |
| Tboil | 562.34 | K | Relay (1.0) Calculated Property |
| Tc | 768.31 | K | Relay (1.0) Calculated Property |
| Tfus | 359.78 | K | Relay (1.0) Calculated Property |
| Vc | 0.464 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [335.79; 417.45] | J/mol×K | [594.65; 825.88] | 
|
| Cp,gas | 335.79 | J/mol×K | 594.65 | Joback Calculated Property |
| Cp,gas | 351.60 | J/mol×K | 633.19 | Joback Calculated Property |
| Cp,gas | 366.59 | J/mol×K | 671.73 | Joback Calculated Property |
| Cp,gas | 380.70 | J/mol×K | 710.26 | Joback Calculated Property |
| Cp,gas | 393.91 | J/mol×K | 748.80 | Joback Calculated Property |
| Cp,gas | 406.17 | J/mol×K | 787.34 | Joback Calculated Property |
| Cp,gas | 417.45 | J/mol×K | 825.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Carbethoxy-2-piperidone.
Sources
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