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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-71.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-271.09	kJ/mol	Joback Calculated Property
ΔfusH°	18.83	kJ/mol	Joback Calculated Property
ΔvapH°	35.74	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
log10WS	-1.09		Crippen Calculated Property
logPoct/wat	0.869		Crippen Calculated Property
McVol	71.330	ml/mol	McGowan Calculated Property
Pc	4883.38	kPa	Joback Calculated Property
Tboil	385.45	K	Joback Calculated Property
Tc	593.06	K	Joback Calculated Property
Tfus	231.61	K	Joback Calculated Property
Vc	0.264	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[142.40; 206.61]	J/mol×K	[385.45; 593.06]
Cp,gas	142.40	J/mol×K	385.45	Joback Calculated Property
Cp,gas	155.11	J/mol×K	420.05	Joback Calculated Property
Cp,gas	166.95	J/mol×K	454.65	Joback Calculated Property
Cp,gas	177.97	J/mol×K	489.26	Joback Calculated Property
Cp,gas	188.22	J/mol×K	523.86	Joback Calculated Property
Cp,gas	197.75	J/mol×K	558.46	Joback Calculated Property
Cp,gas	206.61	J/mol×K	593.06	Joback Calculated Property
η	[0.0006670; 0.0013677]	Pa×s	[231.61; 385.45]
η	0.0013677	Pa×s	231.61	Joback Calculated Property
η	0.0011432	Pa×s	257.25	Joback Calculated Property
η	0.0009871	Pa×s	282.89	Joback Calculated Property
η	0.0008734	Pa×s	308.53	Joback Calculated Property
η	0.0007874	Pa×s	334.17	Joback Calculated Property
η	0.0007205	Pa×s	359.81	Joback Calculated Property
η	0.0006670	Pa×s	385.45	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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