Chemical Properties of Furan, 2,5-diethyltetrahydro- (CAS 41239-48-9)

InChI

InChI=1S/C8H16O/c1-3-7-5-6-8(4-2)9-7/h7-8H,3-6H2,1-2H3

InChI Key

YKWLEIXVUHRKEF-UHFFFAOYSA-N

Formula

C8H16O

SMILES

CCC1CCC(CC)O1

Molecular Weight¹

128.21

CAS

41239-48-9

Other Names

• 2,5-Diethyltetrahydrofuran
• 2,5-Diethyltetrahydrofurane

• 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).
• 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
ΔfusH°	19.46	kJ/mol	Joback Calculated Property
ΔvapH°	43.80	kJ/mol	Relay (1.0) Calculated Property
IE	8.99	eV	Relay (1.0) Calculated Property
logPoct/wat	2.354		Crippen Calculated Property
McVol	118.590	ml/mol	McGowan Calculated Property
Inp	[884.00; 916.00]
Inp	898.30		NIST
Inp	902.00		NIST
Inp	901.00		NIST
Inp	896.00		NIST
Inp	896.00		NIST
Inp	896.00		NIST
Inp	884.00		NIST
Inp	884.00		NIST
Inp	Outlier 916.00		NIST
Tboil	423.80	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, 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	[161.59; 441.53]	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			-4.16080e+01
Coefficient B			8.66040e-01
Coefficient C			-4.69500e-04
Coefficient D			8.66000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	161.59	J/mol×K	273.00	Calculated Property
Cp,gas	209.85	J/mol×K	353.78	Calculated Property
Cp,gas	253.18	J/mol×K	434.56	Calculated Property
Cp,gas	291.86	J/mol×K	515.33	Calculated Property
Cp,gas	326.16	J/mol×K	596.11	Calculated Property
Cp,gas	356.35	J/mol×K	676.89	Calculated Property
Cp,gas	382.71	J/mol×K	757.67	Calculated Property
Cp,gas	405.51	J/mol×K	838.44	Calculated Property
Cp,gas	425.03	J/mol×K	919.22	Calculated Property
Cp,gas	441.53	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0031621; 0.0003327]	Pa×s	[213.15; 429.06]	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			-1.02313e+01
Coefficient B			9.53800e+02
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.			213.15
Temperature range, max.			429.06
η	0.0031621	Pa×s	213.15	Calculated Property
η	0.0020109	Pa×s	237.14	Calculated Property
η	0.0013896	Pa×s	261.13	Calculated Property
η	0.0010220	Pa×s	285.12	Calculated Property
η	0.0007883	Pa×s	309.11	Calculated Property
η	0.0006312	Pa×s	333.10	Calculated Property
η	0.0005207	Pa×s	357.09	Calculated Property
η	0.0004401	Pa×s	381.08	Calculated Property
η	0.0003795	Pa×s	405.07	Calculated Property
η	0.0003327	Pa×s	429.06	Calculated Property

Similar Compounds

Find more compounds similar to Furan, 2,5-diethyltetrahydro-.

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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