- InChI
- InChI=1S/C15H30O2/c1-2-16-14-17-15-12-10-8-6-4-3-5-7-9-11-13-15/h15H,2-14H2,1H3
- InChI Key
- VQNUNMBDOKEZHS-UHFFFAOYSA-N
- Formula
- C15H30O2
- SMILES
- CCOCOC1CCCCCCCCCCC1
- Molecular Weight1
- 242.40
- Other Names
-
- (ethoxymethoxy)cyclododecane
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -595.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.29 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.670 | Crippen Calculated Property | |
| McVol | 223.090 | ml/mol | McGowan Calculated Property |
| Inp | [1704.20; 1735.30] |
|
|
| Inp | 1704.20 | NIST | |
| Inp | 1718.30 | NIST | |
| Inp | 1735.30 | NIST | |
| Inp | 1704.20 | NIST | |
| I | [2001.50; 2061.10] |
|
|
| I | 2001.50 | NIST | |
| I | 2022.10 | NIST | |
| I | 2061.10 | NIST | |
| Tboil | 589.37 | K | Relay (1.0) Calculated Property |
| Tfus | 249.99 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [287.03; 825.94] | 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 | -5.60780e+01 | |||
| Coefficient B | 1.36692e+00 | |||
| Coefficient C | -3.72800e-04 | |||
| Coefficient D | -1.12100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 287.03 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 375.89 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 458.33 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 534.00 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 602.54 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 663.60 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 716.83 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 761.86 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 798.35 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 825.94 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0113037; 0.0000279] | Pa×s | [289.53; 597.56] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.61274e+01 | |||
| Coefficient B | 3.37151e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 289.53 | |||
| Temperature range, max. | 597.56 | |||
| η | 0.0113037 | Pa×s | 289.53 | Calculated Property |
| η | 0.0033006 | Pa×s | 323.76 | Calculated Property |
| η | 0.0012195 | Pa×s | 357.98 | Calculated Property |
| η | 0.0005361 | Pa×s | 392.21 | Calculated Property |
| η | 0.0002689 | Pa×s | 426.43 | Calculated Property |
| η | 0.0001495 | Pa×s | 460.66 | Calculated Property |
| η | 0.0000901 | Pa×s | 494.88 | Calculated Property |
| η | 0.0000580 | Pa×s | 529.11 | Calculated Property |
| η | 0.0000394 | Pa×s | 563.34 | Calculated Property |
| η | 0.0000279 | Pa×s | 597.56 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethoxymethoxycyclododecane (Buazambren).
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
- Joback Method
- McGowan Method
- NIST Webbook
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