- InChI
- InChI=1S/C14H20O5/c1-2-4-14-13(3-1)18-11-9-16-7-5-15-6-8-17-10-12-19-14/h1-4H,5-12H2
- InChI Key
- FNEPSTUXZLEUCK-UHFFFAOYSA-N
- Formula
- C14H20O5
- SMILES
- c1ccc2c(c1)OCCOCCOCCOCCO2
- Molecular Weight1
- 268.31
- Other Names
-
- 2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin
- 2,3-benzo-1,4,7,10,13-pentaoxacyclopentadecane
- 2,3-benzo-15-crown-5
- Benzo-15-crown-5 ether
- Benzo[6]1,4,7,10,13-pentaoxacyclopentadecane
- Bis(1,4,7,10,13-benzopentaoxacyclopentadecin, 2,3,5,6,8,9,11,12-octahydro-)
- Crown ether benzo-15-crown-5
- benzo-15-crown-5
- benzo15C5
- monobenzo-15-crown-5
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation 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).
- 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 |
|---|---|---|---|
| ΔcH°solid | -7585.10 ± 6.20 | kJ/mol | NIST |
| ΔfH°gas | -651.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -782.40 ± 4.70 | kJ/mol | NIST |
| ΔfusH° | 41.63 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 128.00 ± 11.00 | kJ/mol | NIST |
| ΔvapH° | 98.90 ± 1.30 | kJ/mol | NIST |
| IE | 8.00 | eV | NIST |
| log10WS | -1.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.508 | Crippen Calculated Property | |
| McVol | 202.850 | ml/mol | McGowan Calculated Property |
| Tboil | 655.60 | K | Relay (1.0) Calculated Property |
| Tfus | [352.00; 354.10] | K |
|
| Tfus | 352.00 | K | Complex Formation of Crown Ethers and Cations in Water-Organic Solvent Mixtures: The Thermodynamic Functions of Complex Formation of Benzo-15-crown-5 with Na+ in Water + Ethanol at 298.15 K |
| Tfus | 354.10 ± 0.30 | K | NIST |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [616.65; 710.82] | J/mol×K | [740.44; 1012.24] |
|
| Cp,gas | 616.65 | J/mol×K | 740.44 | Joback Calculated Property |
| Cp,gas | 638.44 | J/mol×K | 785.74 | Joback Calculated Property |
| Cp,gas | 657.83 | J/mol×K | 831.04 | Joback Calculated Property |
| Cp,gas | 674.80 | J/mol×K | 876.34 | Joback Calculated Property |
| Cp,gas | 689.31 | J/mol×K | 921.64 | Joback Calculated Property |
| Cp,gas | 701.33 | J/mol×K | 966.94 | Joback Calculated Property |
| Cp,gas | 710.82 | J/mol×K | 1012.24 | Joback Calculated Property |
| η | [0.0000100; 0.0016698] | Pa×s | [406.31; 740.44] |
|
| η | 0.0016698 | Pa×s | 406.31 | Joback Calculated Property |
| η | 0.0004252 | Pa×s | 462.00 | Joback Calculated Property |
| η | 0.0001453 | Pa×s | 517.69 | Joback Calculated Property |
| η | 0.0000612 | Pa×s | 573.38 | Joback Calculated Property |
| η | 0.0000300 | Pa×s | 629.06 | Joback Calculated Property |
| η | 0.0000165 | Pa×s | 684.75 | Joback Calculated Property |
| η | 0.0000100 | Pa×s | 740.44 | Joback Calculated Property |
Similar Compounds
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
- Complex Formation of Crown Ethers and Cations in Water-Organic Solvent Mixtures: The Thermodynamic Functions of Complex Formation of Benzo-15-crown-5 with Na+ in Water + Ethanol at 298.15 K
- Joback Method
- McGowan Method
- NIST Webbook
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