- InChI
- InChI=1S/C17H32O2/c18-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-19-17/h1-16H2
- InChI Key
- FXQOOHFUXNQCKQ-UHFFFAOYSA-N
- Formula
- C17H32O2
- SMILES
- O=C1CCCCCCCCCCCCCCCCO1
- Molecular Weight1
- 268.43
- CAS
- 5637-97-8
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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.
- I : 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 | 0.3551 | Relay (... Calculated Property | |
| ΔfG° | -229.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -683.20 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 12.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.61 | kJ/mol | Relay (... Calculated Property |
| IE | 9.35 | eV | Relay (... Calculated Property |
| log10WS | -4.72 | Relay (... Calculated Property | |
| logPoct/wat | 5.395 | Crippen Calculated Property | |
| McVol | 246.970 | ml/mol | McGowan Calculated Property |
| Pc | 1913.58 | kPa | Joback Calculated Property |
| Inp | [2028.00; 2051.00] |
|
|
| Inp | 2028.00 | NIST | |
| Inp | 2042.30 | NIST | |
| Inp | 2051.00 | NIST | |
| Inp | 2042.30 | NIST | |
| Inp | 2051.00 | NIST | |
| Inp | 2028.00 | NIST | |
| I | [2433.00; 2433.00] |
|
|
| I | 2433.00 | NIST | |
| I | 2433.00 | NIST | |
| Tboil | 693.74 | K | Relay (... Calculated Property |
| Tc | 879.85 | K | Relay (... Calculated Property |
| Tfus | 335.82 | K | Relay (... Calculated Property |
| Vc | 0.795 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [793.60; 922.48] | J/mol×K | [758.59; 1030.72] |
|
| Cp,gas | 793.60 | J/mol×K | 758.59 | Joback Calculated Property |
| Cp,gas | 824.08 | J/mol×K | 803.95 | Joback Calculated Property |
| Cp,gas | 851.15 | J/mol×K | 849.30 | Joback Calculated Property |
| Cp,gas | 874.67 | J/mol×K | 894.66 | Joback Calculated Property |
| Cp,gas | 894.49 | J/mol×K | 940.01 | Joback Calculated Property |
| Cp,gas | 910.47 | J/mol×K | 985.37 | Joback Calculated Property |
| Cp,gas | 922.48 | J/mol×K | 1030.72 | Joback Calculated Property |
| ΔvapH | 73.50 | kJ/mol | 433.00 | NIST |
Similar Compounds
Find more compounds similar to Oxa-2-cyclotetradecanone.
Sources
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