- 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
- 127.18
- CAS
- 2556-73-2
- 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).
- 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).
- Pvap : Vapor pressure (kPa).
- Tboilr : Boiling point at reduced pressure (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 |
| IE | [8.73; 9.00] | eV |
|
| IE | 9.00 ± 0.05 | eV | NIST |
| IE | 8.73 | eV | NIST |
| log10WS | -0.99 | Crippen Calculated Property | |
| logPoct/wat | 1.019 | Crippen Calculated Property | |
| McVol | 110.180 | ml/mol | McGowan Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 49.40 | kJ/mol | 370.00 | NIST |
| Pvap | [4.02; 101.40] | kPa | [402.95; 510.60] |
|
| Pvap | 4.02 | kPa | 402.95 | Vapor P... |
| Pvap | 4.39 | kPa | 405.13 | Vapor P... |
| Pvap | 5.65 | kPa | 411.63 | Vapor P... |
| Pvap | 6.53 | kPa | 415.53 | Vapor P... |
| Pvap | 7.91 | kPa | 420.70 | Vapor P... |
| Pvap | 8.99 | kPa | 424.29 | Vapor P... |
| Pvap | 10.38 | kPa | 428.38 | Vapor P... |
| Pvap | 11.12 | kPa | 430.35 | Vapor P... |
| Pvap | 12.84 | kPa | 434.66 | Vapor P... |
| Pvap | 13.60 | kPa | 436.35 | Vapor P... |
| Pvap | 16.89 | kPa | 443.09 | Vapor P... |
| Pvap | 21.39 | kPa | 450.68 | Vapor P... |
| Pvap | 26.82 | kPa | 458.30 | Vapor P... |
| Pvap | 30.50 | kPa | 462.79 | Vapor P... |
| Pvap | 36.27 | kPa | 468.95 | Vapor P... |
| Pvap | 47.69 | kPa | 479.21 | Vapor P... |
| Pvap | 101.40 | kPa | 510.60 | Vapor P... |
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
- 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. Take the time to validate and double check the source of the data.