Chemical Properties of furfural ethyl propyl acetal

InChI

InChI=1S/C11H18O2/c1-3-9-13-11(12-4-2)10-7-5-6-8-10/h5-7,11H,3-4,8-9H2,1-2H3

InChI Key

AASUBIVBGMLSMB-UHFFFAOYSA-N

Formula

C11H18O2

SMILES

CCCOC(OCC)C1=CC=CC1

Molecular Weight¹

182.26

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_p : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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, Ionization energy, 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	[223.44; 535.36]	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			5.64300e+00
Coefficient B			9.15040e-01
Coefficient C			-4.46120e-04
Coefficient D			6.08000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	223.44	J/mol×K	273.00	Calculated Property
Cp,gas	276.22	J/mol×K	353.78	Calculated Property
Cp,gas	324.02	J/mol×K	434.56	Calculated Property
Cp,gas	367.04	J/mol×K	515.33	Calculated Property
Cp,gas	405.46	J/mol×K	596.11	Calculated Property
Cp,gas	439.48	J/mol×K	676.89	Calculated Property
Cp,gas	469.28	J/mol×K	757.67	Calculated Property
Cp,gas	495.07	J/mol×K	838.44	Calculated Property
Cp,gas	517.03	J/mol×K	919.22	Calculated Property
Cp,gas	535.36	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0026327; 0.0002003]	Pa×s	[272.37; 499.26]	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			-1.16085e+01
Coefficient B			1.54401e+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.			272.37
Temperature range, max.			499.26
η	0.0026327	Pa×s	272.37	Calculated Property
η	0.0016287	Pa×s	297.58	Calculated Property
η	0.0010860	Pa×s	322.79	Calculated Property
η	0.0007680	Pa×s	348.00	Calculated Property
η	0.0005691	Pa×s	373.21	Calculated Property
η	0.0004380	Pa×s	398.42	Calculated Property
η	0.0003478	Pa×s	423.63	Calculated Property
η	0.0002834	Pa×s	448.84	Calculated Property
η	0.0002361	Pa×s	474.05	Calculated Property
η	0.0002003	Pa×s	499.26	Calculated Property

Similar Compounds

Find more compounds similar to furfural ethyl propyl acetal.

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

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