Chemical Properties of Tetrahydrofuran, 3-chloro-2-(1-methylethyloxy)

InChI

InChI=1S/C7H13ClO2/c1-5(2)10-7-6(8)3-4-9-7/h5-7H,3-4H2,1-2H3

InChI Key

BVDLBHWETOJDQT-UHFFFAOYSA-N

Formula

C7H13ClO2

SMILES

CC(C)OC1OCCC1Cl

Molecular Weight¹

164.63

Other Names

• 2-Isopropoxy-3-chloro-tetrahydro-furan

• 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°	18.73	kJ/mol	Joback Calculated Property
logPoct/wat	1.765		Crippen Calculated Property
McVol	122.610	ml/mol	McGowan Calculated Property
Inp	[1025.00; 1025.00]
Inp	1025.00		NIST
Inp	1025.00		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	[168.87; 417.25]	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			-3.99000e+00
Coefficient B			7.20540e-01
Coefficient C			-3.27700e-04
Coefficient D			2.84000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	168.87	J/mol×K	273.00	Calculated Property
Cp,gas	211.16	J/mol×K	353.78	Calculated Property
Cp,gas	249.57	J/mol×K	434.56	Calculated Property
Cp,gas	284.19	J/mol×K	515.33	Calculated Property
Cp,gas	315.10	J/mol×K	596.11	Calculated Property
Cp,gas	342.40	J/mol×K	676.89	Calculated Property
Cp,gas	366.17	J/mol×K	757.67	Calculated Property
Cp,gas	386.51	J/mol×K	838.44	Calculated Property
Cp,gas	403.51	J/mol×K	919.22	Calculated Property
Cp,gas	417.25	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0036458; 0.0003265]	Pa×s	[239.03; 463.49]	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			-1.05963e+01
Coefficient B			1.19087e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			239.03
Temperature range, max.			463.49
η	0.0036458	Pa×s	239.03	Calculated Property
η	0.0022770	Pa×s	263.97	Calculated Property
η	0.0015425	Pa×s	288.91	Calculated Property
η	0.0011117	Pa×s	313.85	Calculated Property
η	0.0008407	Pa×s	338.79	Calculated Property
η	0.0006607	Pa×s	363.73	Calculated Property
η	0.0005355	Pa×s	388.67	Calculated Property
η	0.0004452	Pa×s	413.61	Calculated Property
η	0.0003779	Pa×s	438.55	Calculated Property
η	0.0003265	Pa×s	463.49	Calculated Property

Similar Compounds

Find more compounds similar to Tetrahydrofuran, 3-chloro-2-(1-methylethyloxy).

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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