Chemical Properties of Tetrahydrofuran, 3-chloro-2-(3-chloropropyloxy)

InChI

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

InChI Key

KAPYBTZOMKJIRB-UHFFFAOYSA-N

Formula

C7H12Cl2O2

SMILES

ClCCCOC1OCCC1Cl

Molecular Weight¹

199.07

• 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°	26.45	kJ/mol	Joback Calculated Property
logPoct/wat	1.986		Crippen Calculated Property
McVol	134.850	ml/mol	McGowan Calculated Property
Inp	[1315.00; 1315.00]
Inp	1315.00		NIST
Inp	1315.00		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	[182.59; 424.98]	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			1.05830e+01
Coefficient B			7.21400e-01
Coefficient C			-3.44900e-04
Coefficient D			3.79000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	182.59	J/mol×K	273.00	Calculated Property
Cp,gas	224.31	J/mol×K	353.78	Calculated Property
Cp,gas	262.05	J/mol×K	434.56	Calculated Property
Cp,gas	295.94	J/mol×K	515.33	Calculated Property
Cp,gas	326.09	J/mol×K	596.11	Calculated Property
Cp,gas	352.62	J/mol×K	676.89	Calculated Property
Cp,gas	375.66	J/mol×K	757.67	Calculated Property
Cp,gas	395.31	J/mol×K	838.44	Calculated Property
Cp,gas	411.72	J/mol×K	919.22	Calculated Property
Cp,gas	424.98	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0027334; 0.0003828]	Pa×s	[283.95; 490.82]	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			-1.05663e+01
Coefficient B			1.32437e+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.			283.95
Temperature range, max.			490.82
η	0.0027334	Pa×s	283.95	Calculated Property
η	0.0019276	Pa×s	306.94	Calculated Property
η	0.0014271	Pa×s	329.92	Calculated Property
η	0.0010988	Pa×s	352.91	Calculated Property
η	0.0008735	Pa×s	375.89	Calculated Property
η	0.0007130	Pa×s	398.88	Calculated Property
η	0.0005950	Pa×s	421.87	Calculated Property
η	0.0005059	Pa×s	444.85	Calculated Property
η	0.0004370	Pa×s	467.84	Calculated Property
η	0.0003828	Pa×s	490.82	Calculated Property

Similar Compounds

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

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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