Chemical Properties of 1,3-Dioxepin, 4,7-dihydro- (CAS 5417-32-3)

InChI

InChI=1S/C5H8O2/c1-2-4-7-5-6-3-1/h1-2H,3-5H2

InChI Key

BAKUAUDFCNFLBX-UHFFFAOYSA-N

Formula

C5H8O2

SMILES

C1=CCOCOC1

Molecular Weight¹

100.12

CAS

5417-32-3

Other Names

• 4,7-Dihydro-1,3-dioxepin

• 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°	-131.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-284.25	kJ/mol	Joback Calculated Property
ΔfusH°	14.55	kJ/mol	Joback Calculated Property
ΔvapH°	36.95	kJ/mol	Joback Calculated Property
IE	[9.00; 9.54]	eV
IE	9.00	eV	NIST
IE	9.54	eV	NIST
log10WS	-0.33		Crippen Calculated Property
logPoct/wat	0.547		Crippen Calculated Property
McVol	77.890	ml/mol	McGowan Calculated Property
Pc	4980.35	kPa	Joback Calculated Property
Tboil	399.20	K	NIST
Tc	614.53	K	Joback Calculated Property
Tfus	208.11	K	Joback Calculated Property
Vc	0.270	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[139.96; 203.22]	J/mol×K	[395.35; 614.53]
Cp,gas	139.96	J/mol×K	395.35	Joback Calculated Property
Cp,gas	152.08	J/mol×K	431.88	Joback Calculated Property
Cp,gas	163.55	J/mol×K	468.41	Joback Calculated Property
Cp,gas	174.38	J/mol×K	504.94	Joback Calculated Property
Cp,gas	184.60	J/mol×K	541.47	Joback Calculated Property
Cp,gas	194.21	J/mol×K	578.00	Joback Calculated Property
Cp,gas	203.22	J/mol×K	614.53	Joback Calculated Property
η	[0.0003571; 0.0180802]	Pa×s	[208.11; 395.35]
η	0.0180802	Pa×s	208.11	Joback Calculated Property
η	0.0061364	Pa×s	239.32	Joback Calculated Property
η	0.0026724	Pa×s	270.52	Joback Calculated Property
η	0.0013821	Pa×s	301.73	Joback Calculated Property
η	0.0008089	Pa×s	332.94	Joback Calculated Property
η	0.0005189	Pa×s	364.14	Joback Calculated Property
η	0.0003571	Pa×s	395.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Dioxepin, 4,7-dihydro-.

Sources

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

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