Chemical Properties of 7,8-Dioxabicyclo[4.2.2]decane (CAS 52965-57-8)

InChI

InChI=1S/C8H14O2/c1-2-4-8-6-5-7(3-1)9-10-8/h7-8H,1-6H2

InChI Key

GRPFSWFCSGHVIB-UHFFFAOYSA-N

Formula

C8H14O2

SMILES

C1CCC2CCC(C1)OO2

Molecular Weight¹

142.20

CAS

52965-57-8

Other Names

• 7,8-Dioxabicyclo(4,2,2)decane

• 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_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-220.21	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.30	kJ/mol	Joback Calculated Property
ΔvapH°	48.87	kJ/mol	Relay (1.0) Calculated Property
IE	[9.05; 9.06]	eV
IE	9.06	eV	NIST
IE	9.05	eV	NIST
logPoct/wat	2.040		Crippen Calculated Property
McVol	113.600	ml/mol	McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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	[143.46; 437.69]	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			-9.07100e+01
Coefficient B			1.02120e+00
Coefficient C			-6.38400e-04
Coefficient D			1.45600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	143.46	J/mol×K	273.00	Calculated Property
Cp,gas	197.11	J/mol×K	353.78	Calculated Property
Cp,gas	244.45	J/mol×K	434.56	Calculated Property
Cp,gas	285.94	J/mol×K	515.33	Calculated Property
Cp,gas	322.03	J/mol×K	596.11	Calculated Property
Cp,gas	353.18	J/mol×K	676.89	Calculated Property
Cp,gas	379.87	J/mol×K	757.67	Calculated Property
Cp,gas	402.54	J/mol×K	838.44	Calculated Property
Cp,gas	421.66	J/mol×K	919.22	Calculated Property
Cp,gas	437.69	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0056174; 0.0004629]	Pa×s	[254.86; 485.45]	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			-1.04368e+01
Coefficient B			1.33926e+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.			254.86
Temperature range, max.			485.45
η	0.0056174	Pa×s	254.86	Calculated Property
η	0.0034759	Pa×s	280.48	Calculated Property
η	0.0023307	Pa×s	306.10	Calculated Property
η	0.0016624	Pa×s	331.72	Calculated Property
η	0.0012446	Pa×s	357.34	Calculated Property
η	0.0009686	Pa×s	382.96	Calculated Property
η	0.0007778	Pa×s	408.58	Calculated Property
η	0.0006411	Pa×s	434.21	Calculated Property
η	0.0005398	Pa×s	459.83	Calculated Property
η	0.0004629	Pa×s	485.45	Calculated Property

Similar Compounds

Find more compounds similar to 7,8-Dioxabicyclo[4.2.2]decane.

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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