- 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
- CAS
- 14098-44-3
- Other Names
-
- Benzo[6]1,4,7,10,13-pentaoxacyclopentadecane
- Benzo-15-crown-5
- Benzo-15-crown-5 ether
- Crown ether benzo-15-crown-5
- Monobenzo-15-crown-5
- 2,3-Benzo-15-crown-5
- 2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin
- Bis(1,4,7,10,13-benzopentaoxacyclopentadecin, 2,3,5,6,8,9,11,12-octahydro-)
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- 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 | 0.5035 | Relay (... Calculated Property | |
| ΔcH°solid | -7585.10 ± 6.20 | kJ/mol | NIST |
| ΔfG° | -313.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -651.21 | kJ/mol | Relay (... 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 (... Calculated Property | |
| logPoct/wat | 1.508 | Crippen Calculated Property | |
| McVol | 202.850 | ml/mol | McGowan Calculated Property |
| Pc | 2835.36 | kPa | Joback Calculated Property |
| Tboil | 655.60 | K | Relay (... Calculated Property |
| Tc | 861.73 | K | Relay (... Calculated Property |
| Tfus | 354.10 ± 0.30 | K | NIST |
| Vc | 0.688 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [616.55; 710.78] | J/mol×K | [740.24; 1011.97] | 
|
| Cp,gas | 616.55 | J/mol×K | 740.24 | Joback Calculated Property |
| Cp,gas | 638.34 | J/mol×K | 785.53 | Joback Calculated Property |
| Cp,gas | 657.74 | J/mol×K | 830.82 | Joback Calculated Property |
| Cp,gas | 674.72 | J/mol×K | 876.11 | Joback Calculated Property |
| Cp,gas | 689.24 | J/mol×K | 921.39 | Joback Calculated Property |
| Cp,gas | 701.27 | J/mol×K | 966.68 | Joback Calculated Property |
| Cp,gas | 710.78 | J/mol×K | 1011.97 | Joback Calculated Property |
| η | [0.0000100; 0.0016698] | Pa×s | [406.31; 740.24] |
|
| η | 0.0016698 | Pa×s | 406.31 | Joback Calculated Property |
| η | 0.0004255 | Pa×s | 461.97 | Joback Calculated Property |
| η | 0.0001455 | Pa×s | 517.62 | Joback Calculated Property |
| η | 0.0000613 | Pa×s | 573.27 | Joback Calculated Property |
| η | 0.0000301 | Pa×s | 628.93 | Joback Calculated Property |
| η | 0.0000166 | Pa×s | 684.59 | Joback Calculated Property |
| η | 0.0000100 | Pa×s | 740.24 | Joback Calculated Property |
Similar Compounds
Sources
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