Chemical Properties of 2,5-Dimethyl-3-(3-methylbutyl)-tetrahydrofuran

InChI

InChI=1S/C11H22O/c1-8(2)5-6-11-7-9(3)12-10(11)4/h8-11H,5-7H2,1-4H3

InChI Key

RRMWFLAUEYCDIF-UHFFFAOYSA-N

Formula

C11H22O

SMILES

CC(C)CCC1CC(C)OC1C

Molecular Weight¹

170.30

• 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_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	24.78	kJ/mol	Joback Calculated Property
logPoct/wat	3.236		Crippen Calculated Property
McVol	160.860	ml/mol	McGowan Calculated Property
Inp	[1137.00; 1137.00]
Inp	1137.00		NIST
Inp	1137.00		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	[227.18; 603.50]	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			-4.00780e+01
Coefficient B			1.13048e+00
Coefficient C			-5.80500e-04
Coefficient D			9.36000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	227.18	J/mol×K	273.00	Calculated Property
Cp,gas	291.35	J/mol×K	353.78	Calculated Property
Cp,gas	349.24	J/mol×K	434.56	Calculated Property
Cp,gas	401.14	J/mol×K	515.33	Calculated Property
Cp,gas	447.36	J/mol×K	596.11	Calculated Property
Cp,gas	488.19	J/mol×K	676.89	Calculated Property
Cp,gas	523.92	J/mol×K	757.67	Calculated Property
Cp,gas	554.85	J/mol×K	838.44	Calculated Property
Cp,gas	581.28	J/mol×K	919.22	Calculated Property
Cp,gas	603.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0035453; 0.0003439]	Pa×s	[227.72; 472.09]	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			-1.01495e+01
Coefficient B			1.02641e+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.			227.72
Temperature range, max.			472.09
η	0.0035453	Pa×s	227.72	Calculated Property
η	0.0021934	Pa×s	254.87	Calculated Property
η	0.0014885	Pa×s	282.02	Calculated Property
η	0.0010813	Pa×s	309.18	Calculated Property
η	0.0008271	Pa×s	336.33	Calculated Property
η	0.0006585	Pa×s	363.48	Calculated Property
η	0.0005411	Pa×s	390.63	Calculated Property
η	0.0004562	Pa×s	417.78	Calculated Property
η	0.0003927	Pa×s	444.93	Calculated Property
η	0.0003439	Pa×s	472.09	Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Dimethyl-3-(3-methylbutyl)-tetrahydrofuran.

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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