- InChI
- InChI=1S/C7H13NO/c1-6-4-2-3-5-7(9)8-6/h6H,2-5H2,1H3,(H,8,9)
- InChI Key
- JAWSTIJAWZBKOU-UHFFFAOYSA-N
- Formula
- C7H13NO
- SMILES
- CC1CCCCC(=O)N1
- Molecular Weight1
- 127.18
- CAS
- 1985-48-4
- Other Names
-
- «epsilon»-Methylcaprolactam
- 6-Methyl-6-caprolactam
- 7-Methylcaprolactam
- Hexahydro-7-methyl-2H-azepin-2-one
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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 | 0.3962 | Relay (... Calculated Property | |
| ΔcH°solid | -4250.10 ± 1.30 | kJ/mol | NIST |
| ΔfG° | -14.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -298.32 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 12.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.93 | kJ/mol | Relay (... Calculated Property |
| IE | 8.79 | eV | Relay (... Calculated Property |
| log10WS | -0.40 | Relay (... Calculated Property | |
| logPoct/wat | 1.065 | Crippen Calculated Property | |
| McVol | 110.180 | ml/mol | McGowan Calculated Property |
| Pc | 3906.25 | kPa | Joback Calculated Property |
| Tboil | 524.22 | K | Relay (... Calculated Property |
| Tc | 735.39 | K | Relay (... Calculated Property |
| Tfus | 306.17 | K | Relay (... Calculated Property |
| Vc | 0.381 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [245.34; 336.75] | J/mol×K | [499.75; 738.91] | 
|
| Cp,gas | 245.34 | J/mol×K | 499.75 | Joback Calculated Property |
| Cp,gas | 262.59 | J/mol×K | 539.61 | Joback Calculated Property |
| Cp,gas | 279.09 | J/mol×K | 579.47 | Joback Calculated Property |
| Cp,gas | 294.79 | J/mol×K | 619.33 | Joback Calculated Property |
| Cp,gas | 309.66 | J/mol×K | 659.19 | Joback Calculated Property |
| Cp,gas | 323.66 | J/mol×K | 699.05 | Joback Calculated Property |
| Cp,gas | 336.75 | J/mol×K | 738.91 | Joback Calculated Property |
Similar Compounds
![Pyrrolidin-2-one, 5-[2-butyrylethyl]-.](data:image/png;base64,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)
Find more compounds similar to 2H-Azepin-2-one, hexahydro-7-methyl-.
Sources
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