Chemical Properties of 1,3-Dioxolane, 4-ethyl-2-methyl, trans

InChI

InChI=1S/C6H12O2/c1-3-6-4-7-5(2)8-6/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1

InChI Key

PXOMUGHKQXQZIV-WDSKDSINSA-N

Formula

C6H12O2

SMILES

CC[C@@H]1CO[C@@H](C)O1

Molecular Weight¹

116.16

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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
ΔfusH°	22.26	kJ/mol	Joback Calculated Property
IE	9.98	eV	Relay (1.0) Calculated Property
logPoct/wat	1.158		Crippen Calculated Property
McVol	96.280	ml/mol	McGowan Calculated Property
Inp	[762.00; 774.00]
Inp	770.00		NIST
Inp	774.00		NIST
Inp	762.00		NIST
Inp	762.00		NIST
Tboil	391.86	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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	[136.53; 357.87]	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			-2.24690e+01
Coefficient B			6.73040e-01
Coefficient C			-3.46800e-04
Coefficient D			5.41000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	136.53	J/mol×K	273.00	Calculated Property
Cp,gas	174.63	J/mol×K	353.78	Calculated Property
Cp,gas	208.95	J/mol×K	434.56	Calculated Property
Cp,gas	239.68	J/mol×K	515.33	Calculated Property
Cp,gas	266.96	J/mol×K	596.11	Calculated Property
Cp,gas	290.99	J/mol×K	676.89	Calculated Property
Cp,gas	311.92	J/mol×K	757.67	Calculated Property
Cp,gas	329.93	J/mol×K	838.44	Calculated Property
Cp,gas	345.19	J/mol×K	919.22	Calculated Property
Cp,gas	357.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0032903; 0.0003652]	Pa×s	[217.18; 418.53]	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			-1.02860e+01
Coefficient B			9.92350e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			217.18
Temperature range, max.			418.53
η	0.0032903	Pa×s	217.18	Calculated Property
η	0.0021474	Pa×s	239.55	Calculated Property
η	0.0015075	Pa×s	261.92	Calculated Property
η	0.0011188	Pa×s	284.30	Calculated Property
η	0.0008673	Pa×s	306.67	Calculated Property
η	0.0006960	Pa×s	329.04	Calculated Property
η	0.0005744	Pa×s	351.41	Calculated Property
η	0.0004851	Pa×s	373.78	Calculated Property
η	0.0004176	Pa×s	396.15	Calculated Property
η	0.0003652	Pa×s	418.53	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Dioxolane, 4-ethyl-2-methyl, trans.

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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