- InChI
- InChI=1S/C12H22N2O2/c15-11-7-3-1-5-9-13-12(16)8-4-2-6-10-14-11/h1-10H2,(H,13,16)(H,14,15)
- InChI Key
- HERSSAVMHCMYSQ-UHFFFAOYSA-N
- Formula
- C12H22N2O2
- SMILES
- O=C1CCCCCNC(=O)CCCCCN1
- Molecular Weight1
- 226.32
- CAS
- 5776-79-4
- Other Names
-
- 1,8-Diaza-2,9-diketocyclotetradecane
- ω : Acentric Factor.
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.5529 | Relay (1.0) Calculated Property | |
| ΔfG° | -84.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -546.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.353 | Crippen Calculated Property | |
| McVol | 192.180 | ml/mol | McGowan Calculated Property |
| Pc | 3045.68 | kPa | Joback Calculated Property |
| Inp | [2196.00; 2196.00] |
|
|
| Inp | 2196.00 | NIST | |
| Inp | 2196.00 | NIST | |
| Tboil | 647.80 | K | Relay (1.0) Calculated Property |
| Tc | 907.21 | K | Relay (1.0) Calculated Property |
| Tfus | 461.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.614 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [602.08; 699.67] | J/mol×K | [765.08; 1052.40] |
|
| Cp,gas | 602.08 | J/mol×K | 765.08 | Joback Calculated Property |
| Cp,gas | 626.79 | J/mol×K | 812.97 | Joback Calculated Property |
| Cp,gas | 648.44 | J/mol×K | 860.85 | Joback Calculated Property |
| Cp,gas | 666.79 | J/mol×K | 908.74 | Joback Calculated Property |
| Cp,gas | 681.60 | J/mol×K | 956.63 | Joback Calculated Property |
| Cp,gas | 692.64 | J/mol×K | 1004.51 | Joback Calculated Property |
| Cp,gas | 699.67 | J/mol×K | 1052.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,8-Diazacyclotetradecane-2,9-dione.
Sources
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