Chemical Properties of 7-Oxy-6, 8-dioxabicyclo-(3,2,1) - octane

InChI

InChI=1S/C6H8O3/c7-6-4-2-1-3-5(8-4)9-6/h4-5H,1-3H2

InChI Key

FDTQYEHORIQWRC-UHFFFAOYSA-N

Formula

C6H8O3

SMILES

O=C1OC2CCCC1O2

Molecular Weight¹

128.13

Other Names

• 7,8-dioxabicyclo[3.2.1]octan-6-one

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[119.58; 315.98]	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			-6.03200e+01
Coefficient B			8.17800e-01
Coefficient C			-6.34500e-04
Coefficient D			1.93000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	119.58	J/mol×K	273.00	Calculated Property
Cp,gas	158.13	J/mol×K	353.78	Calculated Property
Cp,gas	191.08	J/mol×K	434.56	Calculated Property
Cp,gas	219.03	J/mol×K	515.33	Calculated Property
Cp,gas	242.59	J/mol×K	596.11	Calculated Property
Cp,gas	262.38	J/mol×K	676.89	Calculated Property
Cp,gas	279.00	J/mol×K	757.67	Calculated Property
Cp,gas	293.07	J/mol×K	838.44	Calculated Property
Cp,gas	305.19	J/mol×K	919.22	Calculated Property
Cp,gas	315.98	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016547; 0.0007978]	Pa×s	[262.16; 448.50]	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			-8.15998e+00
Coefficient B			4.60310e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			262.16
Temperature range, max.			448.50
η	0.0016547	Pa×s	262.16	Calculated Property
η	0.0014551	Pa×s	282.86	Calculated Property
η	0.0013023	Pa×s	303.57	Calculated Property
η	0.0011821	Pa×s	324.27	Calculated Property
η	0.0010856	Pa×s	344.98	Calculated Property
η	0.0010066	Pa×s	365.68	Calculated Property
η	0.0009409	Pa×s	386.39	Calculated Property
η	0.0008856	Pa×s	407.09	Calculated Property
η	0.0008384	Pa×s	427.79	Calculated Property
η	0.0007978	Pa×s	448.50	Calculated Property

Similar Compounds

Find more compounds similar to 7-Oxy-6, 8-dioxabicyclo-(3,2,1) - octane.

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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