- InChI
- InChI=1S/C7H13NO/c1-6-2-3-7(9)8-5-4-6/h6H,2-5H2,1H3,(H,8,9)
- InChI Key
- BXYQVGFHMYTNBX-UHFFFAOYSA-N
- Formula
- C7H13NO
- SMILES
- CC1CCNC(=O)CC1
- Molecular Weight1
- 127.18
- CAS
- 2210-07-3
- Other Names
-
- «gamma»-Methyl-«epsilon»-caprolactam
- «gamma»-Methylcaprolactam
- 5-Methylcaprolactam
- Hexahydro-5-methyl-2H-azepin-2-one
- 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).
- 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 |
|---|---|---|---|
| ΔcH°solid | -4248.40 ± 1.30 | kJ/mol | NIST |
| ΔfG° | -14.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -239.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.78 | kJ/mol | Joback Calculated Property |
| log10WS | -1.37 | Crippen Calculated Property | |
| logPoct/wat | 0.923 | Crippen Calculated Property | |
| McVol | 110.180 | ml/mol | McGowan Calculated Property |
| Pc | 3906.25 | kPa | Joback Calculated Property |
| Tboil | 499.75 | K | Joback Calculated Property |
| Tc | 738.91 | K | Joback Calculated Property |
| Tfus | 345.76 | K | Joback Calculated Property |
| Vc | 0.397 | m3/kmol | Joback 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
Find more compounds similar to 2H-Azepin-2-one, hexahydro-5-methyl-.
Sources
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