Chemical Properties of Tetrahydrofuran, 2-[2-chloro-1-(chloromethyl)ethyloxy]

InChI

InChI=1S/C7H12Cl2O2/c8-4-6(5-9)11-7-2-1-3-10-7/h6-7H,1-5H2

InChI Key

URMBWULTRXBFGL-UHFFFAOYSA-N

Formula

C7H12Cl2O2

SMILES

ClCC(CCl)OC1CCCO1

Molecular Weight¹

199.07

Other Names

• 2-(2-Chloro-1-chloromethyl-ethoxy)- 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	21.86	kJ/mol	Joback Calculated Property
logPoct/wat	1.986		Crippen Calculated Property
McVol	134.850	ml/mol	McGowan Calculated Property
Inp	[1300.00; 1300.00]
Inp	1300.00		NIST
Inp	1300.00		NIST
Tboil	496.25	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, 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	[180.01; 418.86]	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			2.96200e+00
Coefficient B			7.53800e-01
Coefficient C			-4.03500e-04
Coefficient D			6.56000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	180.01	J/mol×K	273.00	Calculated Property
Cp,gas	222.04	J/mol×K	353.78	Calculated Property
Cp,gas	259.72	J/mol×K	434.56	Calculated Property
Cp,gas	293.24	J/mol×K	515.33	Calculated Property
Cp,gas	322.82	J/mol×K	596.11	Calculated Property
Cp,gas	348.67	J/mol×K	676.89	Calculated Property
Cp,gas	370.99	J/mol×K	757.67	Calculated Property
Cp,gas	389.99	J/mol×K	838.44	Calculated Property
Cp,gas	405.88	J/mol×K	919.22	Calculated Property
Cp,gas	418.86	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0048131; 0.0003382]	Pa×s	[273.19; 497.25]	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			-1.12293e+01
Coefficient B			1.60988e+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.			273.19
Temperature range, max.			497.25
η	0.0048131	Pa×s	273.19	Calculated Property
η	0.0029423	Pa×s	298.09	Calculated Property
η	0.0019404	Pa×s	322.98	Calculated Property
η	0.0013582	Pa×s	347.88	Calculated Property
η	0.0009971	Pa×s	372.77	Calculated Property
η	0.0007609	Pa×s	397.67	Calculated Property
η	0.0005994	Pa×s	422.56	Calculated Property
η	0.0004849	Pa×s	447.46	Calculated Property
η	0.0004012	Pa×s	472.35	Calculated Property
η	0.0003382	Pa×s	497.25	Calculated Property

Similar Compounds

Find more compounds similar to Tetrahydrofuran, 2-[2-chloro-1-(chloromethyl)ethyloxy].

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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