- InChI
- InChI=1S/C7H13NO/c1-8-6-4-2-3-5-7(8)9/h2-6H2,1H3
- InChI Key
- ZWXPDGCFMMFNRW-UHFFFAOYSA-N
- Formula
- C7H13NO
- SMILES
- CN1CCCCCC1=O
- Molecular Weight1
- 127.19
- Other Names
-
- 1-methylazacycloheptan-2-one
- 1-methylcaprolactam
- 1-methylhexahydro-2H-azepin-2-one
- 2H-Azepin-2-one, hexahydro-N-methyl-
- Hexahydro-1-methyl-2H-azepin-2-one
- N-Methyl-e-caprolactam
- N-Methyl-«epsilon»-caprolactam
- N-methyl-.epsilon.-caprolactam
- N-methylcaprolactam
- NSC 68794
- «epsilon»-Caprolactam, N-methyl-
- ΔcH°liquid : Standard liquid enthalpy of combustion (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).
- Pvap : Vapor 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | [-4305.80; -4304.10] | kJ/mol |
|
| ΔcH°liquid | -4305.80 ± 0.40 | kJ/mol | NIST |
| ΔcH°liquid | -4304.10 | kJ/mol | NIST |
| ΔfH°gas | -256.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 60.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [8.73; 9.00] | eV |
|
| IE | 9.00 ± 0.05 | eV | NIST |
| IE | 8.73 | eV | NIST |
| log10WS | 0.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.019 | Crippen Calculated Property | |
| McVol | 110.180 | ml/mol | McGowan Calculated Property |
| Pc | 3782.50 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 514.63 | K | Relay (1.0) Calculated Property |
| Tc | 748.17 | K | Relay (1.0) Calculated Property |
| Tfus | 274.50 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 380.20 | K | 0.80 | NIST |
Similar Compounds
Find more compounds similar to 2H-Azepin-2-one, hexahydro-1-methyl-.
Mixtures
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
- High-Pressure Phase Behavior of CO2 + N-Vinyl Caprolactam and CO2 + N-Methyl Caprolactam Systems
- Vapor Pressures of 1-Methyl-2-pyrrolidone, 1-Methyl-azepan-2-one, and 1,2-Epoxy-3-chloropropane
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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