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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[129.37; 352.99]	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			-3.35290e+01
Coefficient B			6.89920e-01
Coefficient C			-3.55800e-04
Coefficient D			5.24000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	129.37	J/mol×K	273.00	Calculated Property
Cp,gas	168.34	J/mol×K	353.78	Calculated Property
Cp,gas	203.39	J/mol×K	434.56	Calculated Property
Cp,gas	234.69	J/mol×K	515.33	Calculated Property
Cp,gas	262.41	J/mol×K	596.11	Calculated Property
Cp,gas	286.70	J/mol×K	676.89	Calculated Property
Cp,gas	307.74	J/mol×K	757.67	Calculated Property
Cp,gas	325.69	J/mol×K	838.44	Calculated Property
Cp,gas	340.72	J/mol×K	919.22	Calculated Property
Cp,gas	352.99	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0087042; 0.0003218]	Pa×s	[217.90; 430.96]	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			-1.14140e+01
Coefficient B			1.45341e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			217.90
Temperature range, max.			430.96
η	0.0087042	Pa×s	217.90	Calculated Property
η	0.0045275	Pa×s	241.57	Calculated Property
η	0.0026464	Pa×s	265.25	Calculated Property
η	0.0016892	Pa×s	288.92	Calculated Property
η	0.0011540	Pa×s	312.59	Calculated Property
η	0.0008319	Pa×s	336.27	Calculated Property
η	0.0006260	Pa×s	359.94	Calculated Property
η	0.0004880	Pa×s	383.61	Calculated Property
η	0.0003915	Pa×s	407.28	Calculated Property
η	0.0003218	Pa×s	430.96	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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