Chemical Properties of 1,3-Dioxepin

InChI

InChI=1S/C5H6O2/c1-2-4-7-5-6-3-1/h1-4H,5H2

InChI Key

GTPWYANJPNGAAY-UHFFFAOYSA-N

Formula

C5H6O2

SMILES

C1=COCOC=C1

Molecular Weight¹

98.10

• 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°	15.77	kJ/mol	Joback Calculated Property
IE	[8.00; 8.30]	eV
IE	8.00	eV	NIST
IE	8.30	eV	NIST
logPoct/wat	1.018		Crippen Calculated Property
McVol	73.590	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[127.60; 182.68]	J/mol×K	[394.51; 616.11]
Cp,gas	127.60	J/mol×K	394.51	Joback Calculated Property
Cp,gas	138.26	J/mol×K	431.44	Joback Calculated Property
Cp,gas	148.31	J/mol×K	468.38	Joback Calculated Property
Cp,gas	157.76	J/mol×K	505.31	Joback Calculated Property
Cp,gas	166.63	J/mol×K	542.24	Joback Calculated Property
Cp,gas	174.93	J/mol×K	579.18	Joback Calculated Property
Cp,gas	182.68	J/mol×K	616.11	Joback Calculated Property
η	[0.0003357; 0.0131689]	Pa×s	[208.87; 394.51]
η	0.0131689	Pa×s	208.87	Joback Calculated Property
η	0.0048151	Pa×s	239.81	Joback Calculated Property
η	0.0022158	Pa×s	270.75	Joback Calculated Property
η	0.0011956	Pa×s	301.69	Joback Calculated Property
η	0.0007236	Pa×s	332.63	Joback Calculated Property
η	0.0004770	Pa×s	363.57	Joback Calculated Property
η	0.0003357	Pa×s	394.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Dioxepin.

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.