Chemical Properties of 2,3-Dioxabicyclo[2.2.1]heptane (CAS 279-35-6)

InChI

InChI=1S/C5H8O2/c1-2-5-3-4(1)6-7-5/h4-5H,1-3H2

InChI Key

RNFXAEBUWFIOQW-UHFFFAOYSA-N

Formula

C5H8O2

SMILES

C1CC2CC1OO2

Molecular Weight¹

100.12

CAS

279-35-6

• 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).
• 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
ΔfusH°	18.83	kJ/mol	Joback Calculated Property
IE	[8.96; 8.99]	eV
IE	8.96	eV	NIST
IE	8.96	eV	NIST
IE	8.99	eV	NIST
logPoct/wat	0.869		Crippen Calculated Property
McVol	71.330	ml/mol	McGowan Calculated Property

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, 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	[94.50; 277.58]	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			-7.26200e+01
Coefficient B			7.65000e-01
Coefficient C			-6.14400e-04
Coefficient D			1.99600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	94.50	J/mol×K	273.00	Calculated Property
Cp,gas	129.96	J/mol×K	353.78	Calculated Property
Cp,gas	160.17	J/mol×K	434.56	Calculated Property
Cp,gas	185.76	J/mol×K	515.33	Calculated Property
Cp,gas	207.36	J/mol×K	596.11	Calculated Property
Cp,gas	225.60	J/mol×K	676.89	Calculated Property
Cp,gas	241.11	J/mol×K	757.67	Calculated Property
Cp,gas	254.52	J/mol×K	838.44	Calculated Property
Cp,gas	266.47	J/mol×K	919.22	Calculated Property
Cp,gas	277.58	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013677; 0.0006171]	Pa×s	[231.61; 415.36]	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			-8.39366e+00
Coefficient B			4.16670e+02
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.			231.61
Temperature range, max.			415.36
η	0.0013677	Pa×s	231.61	Calculated Property
η	0.0011822	Pa×s	252.03	Calculated Property
η	0.0010444	Pa×s	272.44	Calculated Property
η	0.0009388	Pa×s	292.86	Calculated Property
η	0.0008557	Pa×s	313.28	Calculated Property
η	0.0007888	Pa×s	333.69	Calculated Property
η	0.0007340	Pa×s	354.11	Calculated Property
η	0.0006884	Pa×s	374.52	Calculated Property
η	0.0006499	Pa×s	394.94	Calculated Property
η	0.0006171	Pa×s	415.36	Calculated Property

Similar Compounds

Find more compounds similar to 2,3-Dioxabicyclo[2.2.1]heptane.

Sources

• 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.