Chemical Properties of 1,4,7,10-Benzotetraoxacyclododecin, 2,3,5,6,8,9-hexahydro-

InChI

InChI=1S/C12H16O4/c1-2-4-12-11(3-1)15-9-7-13-5-6-14-8-10-16-12/h1-4H,5-10H2

InChI Key

OAJNZFCPJVBYHB-UHFFFAOYSA-N

Formula

C12H16O4

SMILES

c1ccc2c(c1)OCCOCCOCCO2

Molecular Weight¹

224.26

Other Names

• 2,3-Benzo-1,4,7,10-tetraoxacyclododecane
• Benzo-12-crown 4-ether
• Benzo-12-crown-4

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[214.83; 580.47]	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			-5.03700e+01
Coefficient B			1.10360e+00
Coefficient C			-4.88360e-04
Coefficient D			1.56000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	214.83	J/mol×K	273.00	Calculated Property
Cp,gas	279.63	J/mol×K	353.78	Calculated Property
Cp,gas	338.26	J/mol×K	434.56	Calculated Property
Cp,gas	390.79	J/mol×K	515.33	Calculated Property
Cp,gas	437.26	J/mol×K	596.11	Calculated Property
Cp,gas	477.73	J/mol×K	676.89	Calculated Property
Cp,gas	512.23	J/mol×K	757.67	Calculated Property
Cp,gas	540.82	J/mol×K	838.44	Calculated Property
Cp,gas	563.55	J/mol×K	919.22	Calculated Property
Cp,gas	580.47	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0033280; 0.0000532]	Pa×s	[367.76; 642.81]	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			-1.53732e+01
Coefficient B			3.55544e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			367.76
Temperature range, max.			642.81
η	0.0033280	Pa×s	367.76	Calculated Property
η	0.0015850	Pa×s	398.32	Calculated Property
η	0.0008391	Pa×s	428.88	Calculated Property
η	0.0004834	Pa×s	459.44	Calculated Property
η	0.0002983	Pa×s	490.00	Calculated Property
η	0.0001949	Pa×s	520.57	Calculated Property
η	0.0001334	Pa×s	551.13	Calculated Property
η	0.0000951	Pa×s	581.69	Calculated Property
η	0.0000701	Pa×s	612.25	Calculated Property
η	0.0000532	Pa×s	642.81	Calculated Property

Similar Compounds

Find more compounds similar to 1,4,7,10-Benzotetraoxacyclododecin, 2,3,5,6,8,9-hexahydro-.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.