Chemical Properties of furfural acetal

InChI

InChI=1S/C10H16O2/c1-3-11-10(12-4-2)9-7-5-6-8-9/h5-7,10H,3-4,8H2,1-2H3

InChI Key

MYMKNEUWNLCERL-UHFFFAOYSA-N

Formula

C10H16O2

SMILES

CCOC(OCC)C1=CC=CC1

Molecular Weight¹

168.24

• 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°	15.43	kJ/mol	Joback Calculated Property
logPoct/wat	2.272		Crippen Calculated Property
McVol	144.040	ml/mol	McGowan Calculated Property
Ip	[1663.00; 1663.00]
Ip	1663.00		NIST
Ip	1663.00		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	[202.22; 483.77]	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			6.55200e+00
Coefficient B			8.20040e-01
Coefficient C			-3.91720e-04
Coefficient D			4.89000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	202.22	J/mol×K	273.00	Calculated Property
Cp,gas	249.80	J/mol×K	353.78	Calculated Property
Cp,gas	292.95	J/mol×K	434.56	Calculated Property
Cp,gas	331.81	J/mol×K	515.33	Calculated Property
Cp,gas	366.55	J/mol×K	596.11	Calculated Property
Cp,gas	397.32	J/mol×K	676.89	Calculated Property
Cp,gas	424.27	J/mol×K	757.67	Calculated Property
Cp,gas	447.56	J/mol×K	838.44	Calculated Property
Cp,gas	467.34	J/mol×K	919.22	Calculated Property
Cp,gas	483.77	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0026405; 0.0002034]	Pa×s	[261.10; 485.01]	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			-1.14896e+01
Coefficient B			1.44985e+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.			261.10
Temperature range, max.			485.01
η	0.0026405	Pa×s	261.10	Calculated Property
η	0.0016289	Pa×s	285.98	Calculated Property
η	0.0010856	Pa×s	310.86	Calculated Property
η	0.0007684	Pa×s	335.74	Calculated Property
η	0.0005704	Pa×s	360.61	Calculated Property
η	0.0004401	Pa×s	385.49	Calculated Property
η	0.0003503	Pa×s	410.37	Calculated Property
η	0.0002863	Pa×s	435.25	Calculated Property
η	0.0002391	Pa×s	460.13	Calculated Property
η	0.0002034	Pa×s	485.01	Calculated Property

Similar Compounds

Find more compounds similar to furfural 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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