- InChI
- InChI=1S/C8H13NO2/c1-7(10)9-6-4-2-3-5-8(9)11/h2-6H2,1H3
- InChI Key
- QISSLHPKTCLLDL-UHFFFAOYSA-N
- Formula
- C8H13NO2
- SMILES
- CC(=O)N1CCCCCC1=O
- Molecular Weight1
- 155.19
- CAS
- 1888-91-1
- Other Names
-
- 1-Acetylhexahydro-2H-azepin-2-one
- N-Acetyl-«epsilon»-caprolactam
- 2H-Azepin-2-one, 1-acetylhexahydro-
- N-Acetyl-6-caprolactam
- Acetylcaprolactam
- Acetylkaprolaktam
- NSC 522408
- N-acetylhexanelactam
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.4573 | Relay (1.0) Calculated Property | |
| ΔfG° | -118.07 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -435.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 61.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.935 | Crippen Calculated Property | |
| McVol | 125.840 | ml/mol | McGowan Calculated Property |
| Pc | 3529.84 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 542.53 | K | Relay (1.0) Calculated Property |
| Tc | 769.03 | K | Relay (1.0) Calculated Property |
| Tfus | 339.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.441 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [394.50; 407.70] | K | [1.30; 3.50] |
|
| Tboilr | 394.50 ± 1.50 | K | 1.30 | NIST |
| Tboilr | 407.70 | K | 3.50 | NIST |
Similar Compounds
Find more compounds similar to N-Acetylcaprolactam.
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
- McGowan Method
- NIST Webbook
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