Chemical Properties of 2-ethyl-1,3-dioxane

InChI

InChI=1S/C6H12O2/c1-2-6-7-4-3-5-8-6/h6H,2-5H2,1H3

InChI Key

YYSCEOFBYTXZLD-UHFFFAOYSA-N

Formula

C6H12O2

SMILES

CCC1OCCCO1

Molecular Weight¹

116.16

• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-391.11	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.09	kJ/mol	Joback Calculated Property
ΔvapH°	44.61	kJ/mol	Relay (1.0) Calculated Property
IE	9.79	eV	Relay (1.0) Calculated Property
logPoct/wat	1.159		Crippen Calculated Property
McVol	96.280	ml/mol	McGowan Calculated Property
Inp	[824.00; 824.00]
Inp	824.00		NIST
Inp	824.00		NIST
Tboil	399.53	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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	[193.28; 268.59]	J/mol×K	[410.33; 615.65]
Cp,gas	193.28	J/mol×K	410.33	Joback Calculated Property
Cp,gas	207.46	J/mol×K	444.55	Joback Calculated Property
Cp,gas	220.98	J/mol×K	478.77	Joback Calculated Property
Cp,gas	233.84	J/mol×K	512.99	Joback Calculated Property
Cp,gas	246.05	J/mol×K	547.21	Joback Calculated Property
Cp,gas	257.63	J/mol×K	581.43	Joback Calculated Property
Cp,gas	268.59	J/mol×K	615.65	Joback Calculated Property
η	[0.0003813; 0.0087042]	Pa×s	[217.90; 410.33]
η	0.0087042	Pa×s	217.90	Joback Calculated Property
η	0.0036989	Pa×s	249.97	Joback Calculated Property
η	0.0019096	Pa×s	282.04	Joback Calculated Property
η	0.0011283	Pa×s	314.12	Joback Calculated Property
η	0.0007350	Pa×s	346.19	Joback Calculated Property
η	0.0005148	Pa×s	378.26	Joback Calculated Property
η	0.0003813	Pa×s	410.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-ethyl-1,3-dioxane.

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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