Chemical Properties of furfural ethyl isoamyl acetal

InChI

InChI=1S/C13H22O2/c1-4-14-13(12-7-5-6-8-12)15-10-9-11(2)3/h5-7,11,13H,4,8-10H2,1-3H3

InChI Key

KZDDWXGYZGWAFF-UHFFFAOYSA-N

Formula

C13H22O2

SMILES

CCOC(OCCC(C)C)C1=CC=CC1

Molecular Weight¹

210.32

• 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

Property	Value	Unit	Source
ΔfusH°	19.68	kJ/mol	Joback Calculated Property
logPoct/wat	3.298		Crippen Calculated Property
McVol	186.310	ml/mol	McGowan Calculated Property
Ip	[1652.00; 1652.00]
Ip	1652.00		NIST
Ip	1652.00		NIST

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	[265.55; 639.08]	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			2.14300e+00
Coefficient B			1.11096e+00
Coefficient C			-5.58120e-04
Coefficient D			8.41000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	265.55	J/mol×K	273.00	Calculated Property
Cp,gas	329.05	J/mol×K	353.78	Calculated Property
Cp,gas	386.42	J/mol×K	434.56	Calculated Property
Cp,gas	437.95	J/mol×K	515.33	Calculated Property
Cp,gas	483.89	J/mol×K	596.11	Calculated Property
Cp,gas	524.50	J/mol×K	676.89	Calculated Property
Cp,gas	560.07	J/mol×K	757.67	Calculated Property
Cp,gas	590.84	J/mol×K	838.44	Calculated Property
Cp,gas	617.09	J/mol×K	919.22	Calculated Property
Cp,gas	639.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0034362; 0.0001735]	Pa×s	[279.91; 530.26]	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			-1.19974e+01
Coefficient B			1.77015e+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.			279.91
Temperature range, max.			530.26
η	0.0034362	Pa×s	279.91	Calculated Property
η	0.0019401	Pa×s	307.73	Calculated Property
η	0.0012042	Pa×s	335.54	Calculated Property
η	0.0008041	Pa×s	363.36	Calculated Property
η	0.0005687	Pa×s	391.18	Calculated Property
η	0.0004211	Pa×s	418.99	Calculated Property
η	0.0003237	Pa×s	446.81	Calculated Property
η	0.0002566	Pa×s	474.62	Calculated Property
η	0.0002088	Pa×s	502.44	Calculated Property
η	0.0001735	Pa×s	530.26	Calculated Property

Similar Compounds

Find more compounds similar to furfural ethyl isoamyl 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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