Chemical Properties of 1,3-Dioxepin (CAS 291-92-9)

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

CAS

291-92-9

• 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°	-101.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-226.47	kJ/mol	Joback Calculated Property
ΔfusH°	15.77	kJ/mol	Joback Calculated Property
ΔvapH°	37.24	kJ/mol	Joback Calculated Property
IE	[8.00; 8.30]	eV
IE	8.00	eV	NIST
IE	8.30	eV	NIST
log10WS	-1.18		Crippen Calculated Property
logPoct/wat	1.018		Crippen Calculated Property
McVol	73.590	ml/mol	McGowan Calculated Property
Pc	5243.40	kPa	Joback Calculated Property
Tboil	394.51	K	Joback Calculated Property
Tc	616.11	K	Joback Calculated Property
Tfus	208.87	K	Joback Calculated Property
Vc	0.256	m3/kmol	Joback Calculated Property

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

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

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