Chemical Properties of 1,3-Dioxepin, 4,7-dihydro-

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

Other Names

• 4,7-Dihydro-1,3-dioxepin

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-266.22	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.55	kJ/mol	Joback Calculated Property
IE	[9.00; 9.54]	eV
IE	9.00	eV	NIST
IE	9.54	eV	NIST
logPoct/wat	0.547		Crippen Calculated Property
McVol	77.890	ml/mol	McGowan Calculated Property
Tboil	399.20	K	NIST
Tfus	248.51	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[94.52; 265.22]	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			-3.59000e+01
Coefficient B			5.55800e-01
Coefficient C			-2.97680e-04
Coefficient D			4.30000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	94.52	J/mol×K	273.00	Calculated Property
Cp,gas	125.38	J/mol×K	353.78	Calculated Property
Cp,gas	152.94	J/mol×K	434.56	Calculated Property
Cp,gas	177.35	J/mol×K	515.33	Calculated Property
Cp,gas	198.75	J/mol×K	596.11	Calculated Property
Cp,gas	217.26	J/mol×K	676.89	Calculated Property
Cp,gas	233.03	J/mol×K	757.67	Calculated Property
Cp,gas	246.19	J/mol×K	838.44	Calculated Property
Cp,gas	256.87	J/mol×K	919.22	Calculated Property
Cp,gas	265.22	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0180802; 0.0002503]	Pa×s	[208.11; 430.39]	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			-1.22997e+01
Coefficient B			1.72455e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			208.11
Temperature range, max.			430.39
η	0.0180802	Pa×s	208.11	Calculated Property
η	0.0075060	Pa×s	232.81	Calculated Property
η	0.0036885	Pa×s	257.51	Calculated Property
η	0.0020526	Pa×s	282.20	Calculated Property
η	0.0012552	Pa×s	306.90	Calculated Property
η	0.0008260	Pa×s	331.60	Calculated Property
η	0.0005760	Pa×s	356.30	Calculated Property
η	0.0004209	Pa×s	381.00	Calculated Property
η	0.0003195	Pa×s	405.69	Calculated Property
η	0.0002503	Pa×s	430.39	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• 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.
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