Chemical Properties of Tetrahydrofuran, 2-methyl-2-(4-methylpentyl)

InChI

InChI=1S/C11H22O/c1-10(2)6-4-7-11(3)8-5-9-12-11/h10H,4-9H2,1-3H3

InChI Key

XCZUYIGFSVRKBU-UHFFFAOYSA-N

Formula

C11H22O

SMILES

CC(C)CCCC1(C)CCCO1

Molecular Weight¹

170.29

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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.
• I_p : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	16.34	kJ/mol	Joback Calculated Property
logPoct/wat	3.382		Crippen Calculated Property
McVol	160.860	ml/mol	McGowan Calculated Property
Inp	1159.00		NIST
Ip	[1325.00; 1325.00]
Ip	1325.00		NIST
Ip	1325.00		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	[218.73; 597.51]	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			-1.01947e+02
Coefficient B			1.47536e+00
Coefficient C			-1.22390e-03
Coefficient D			4.48000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	218.73	J/mol×K	273.00	Calculated Property
Cp,gas	286.66	J/mol×K	353.78	Calculated Property
Cp,gas	344.82	J/mol×K	434.56	Calculated Property
Cp,gas	394.64	J/mol×K	515.33	Calculated Property
Cp,gas	437.52	J/mol×K	596.11	Calculated Property
Cp,gas	474.88	J/mol×K	676.89	Calculated Property
Cp,gas	508.15	J/mol×K	757.67	Calculated Property
Cp,gas	538.73	J/mol×K	838.44	Calculated Property
Cp,gas	568.05	J/mol×K	919.22	Calculated Property
Cp,gas	597.51	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Tetrahydrofuran, 2-methyl-2-(4-methylpentyl).

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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