- InChI
- InChI=1S/C6H11NO/c1-7-5-3-2-4-6(7)8/h2-5H2,1H3
- InChI Key
- GGYVTHJIUNGKFZ-UHFFFAOYSA-N
- Formula
- C6H11NO
- SMILES
- CN1CCCCC1=O
- Molecular Weight1
- 113.16
- CAS
- 931-20-4
- Other Names
-
- 2-Piperidone, 1-methyl-
- N-Methyl-«delta»-valerolactam
- N-Methyl-2-piperidinone
- N-Methyl-2-piperidone
- 1-Methyl-2-piperidinone
- 1-Methyl-2-piperidone
- 1-Methylpiperidine-2-one
- 1-Methylpiperidin-2-one
- N-Methylvalerolactam
- NSC 67384
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 | 0.3770 | Relay (1.0) Calculated Property | |
| PAff | 924.40 | kJ/mol | NIST |
| BasG | 892.60 | kJ/mol | NIST |
| ΔcH°liquid | [-3640.00; -3635.00] | kJ/mol |
|
| ΔcH°liquid | -3640.00 ± 0.40 | kJ/mol | NIST |
| ΔcH°liquid | -3635.00 | kJ/mol | NIST |
| ΔfG° | -12.20 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -230.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 60.30 ± 0.90 | kJ/mol | NIST |
| IE | 8.92 | eV | NIST |
| log10WS | 1.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.629 | Crippen Calculated Property | |
| McVol | 96.090 | ml/mol | McGowan Calculated Property |
| Pc | 4143.91 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 501.95 | K | Relay (1.0) Calculated Property |
| Tc | 720.00 | K | Relay (1.0) Calculated Property |
| Tfus | 275.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.343 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [54.40; 55.40] | kJ/mol | [363.00; 403.00] |
|
| ΔvapH | 55.40 | kJ/mol | 363.00 | NIST |
| ΔvapH | 54.40 ± 3.10 | kJ/mol | 403.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 378.70 | K | 1.60 | NIST |
Similar Compounds
Find more compounds similar to 2-Piperidinone, 1-methyl-.
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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