- InChI
- InChI=1S/C14H26O/c15-14-12-10-8-6-4-2-1-3-5-7-9-11-13-14/h1-13H2
- InChI Key
- FUGDHQXYVPQGLJ-UHFFFAOYSA-N
- Formula
- C14H26O
- SMILES
- O=C1CCCCCCCCCCCCC1
- Molecular Weight1
- 210.36
- Other Names
-
- cyclotetradecan-1-one
- 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).
- ΔsubH : Enthalpy of sublimation 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).
- 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 | 0.3466 | Relay (1.0) Calculated Property | |
| ΔfG° | -120.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -433.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 5.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.640 | Crippen Calculated Property | |
| McVol | 198.830 | ml/mol | McGowan Calculated Property |
| Pc | 2291.52 | kPa | Joback Calculated Property |
| Tboil | 587.86 | K | Relay (1.0) Calculated Property |
| Tc | 809.01 | K | Relay (1.0) Calculated Property |
| Tfus | 332.96 | K | Relay (1.0) Calculated Property |
| Vc | 0.649 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔsubH | 80.80 ± 0.80 | kJ/mol | 310.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [229.32; 733.38] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -8.59200e+01 | |||
| Coefficient B | 1.23730e+00 | |||
| Coefficient C | -2.59000e-04 | |||
| Coefficient D | -1.59000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 229.32 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 312.35 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 389.80 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 461.16 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 525.93 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 583.61 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 633.70 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 675.70 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 709.09 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 733.38 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclotetradecanone-.
Sources
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