- InChI
- InChI=1S/C7H13NO/c9-7-5-3-1-2-4-6-8-7/h1-6H2,(H,8,9)
- InChI Key
- CJYXCQLOZNIMFP-UHFFFAOYSA-N
- Formula
- C7H13NO
- SMILES
- O=C1CCCCCCN1
- Molecular Weight1
- 127.18
- CAS
- 673-66-5
- Other Names
-
- Hexahydro-2(1H)-azocinone
- 2-Ketoheptamethyleneimine
- «omega»-Heptanolactam
- 2(1H)-Azocinone, hexahydro-
- 7-Aminoheptanoic acid lactam
- Azacyclooctan-2-one
- Enantholactam
- «omega»-Enantholactam
- «zeta»-Enantholactam
- 7-Heptanelactam
- Octahydroazocin-2-one
- Oenantholactam
- 2-Perhydroazocinone
- Suberonisoxim
- 2H-Azocin-2-one, hexahydro-
- NSC 77088
- hexahydroazocin-2(1H)-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).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (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 | 0.3965 | Relay (... Calculated Property | |
| ΔcH°solid | -4263.90 ± 1.30 | kJ/mol | NIST |
| ΔfG° | -18.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -293.92 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 9.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.76 | kJ/mol | Relay (... Calculated Property |
| IE | 9.19 | eV | NIST |
| log10WS | -0.16 | Relay (... Calculated Property | |
| logPoct/wat | 1.067 | Crippen Calculated Property | |
| McVol | 110.180 | ml/mol | McGowan Calculated Property |
| Pc | 4205.63 | kPa | Joback Calculated Property |
| Tboil | 540.29 | K | Relay (... Calculated Property |
| Tc | 773.95 | K | Relay (... Calculated Property |
| Tfus | 308.20 ± 0.50 | K | NIST |
| Ttriple | 310.29 ± 0.02 | K | NIST |
| Vc | 0.375 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [244.25; 338.35] | J/mol×K | [508.69; 757.46] | 
|
| Cp,gas | 244.25 | J/mol×K | 508.69 | Joback Calculated Property |
| Cp,gas | 262.25 | J/mol×K | 550.15 | Joback Calculated Property |
| Cp,gas | 279.38 | J/mol×K | 591.61 | Joback Calculated Property |
| Cp,gas | 295.60 | J/mol×K | 633.08 | Joback Calculated Property |
| Cp,gas | 310.86 | J/mol×K | 674.54 | Joback Calculated Property |
| Cp,gas | 325.13 | J/mol×K | 716.00 | Joback Calculated Property |
| Cp,gas | 338.35 | J/mol×K | 757.46 | Joback Calculated Property |
| ΔfusH | 13.78 | kJ/mol | 310.30 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 422.20 | K | 1.30 | NIST |
Similar Compounds
Find more compounds similar to 2-Azacyclooctanone.
Sources
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