Chemical Properties of Propyl 1,1-dichloropropyl ether

InChI

InChI=1S/C6H12Cl2O/c1-3-5-9-6(7,8)4-2/h3-5H2,1-2H3

InChI Key

UFLXLVHVFCSXIR-UHFFFAOYSA-N

Formula

C6H12Cl2O

SMILES

CCCOC(Cl)(Cl)CC

Molecular Weight¹

171.07

• 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).
• Δ_vapH° : Enthalpy of vaporization 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°	13.46	kJ/mol	Joback Calculated Property
ΔvapH°	45.84	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.954		Crippen Calculated Property
McVol	125.750	ml/mol	McGowan Calculated Property
Inp	[954.00; 954.00]
Inp	954.00		NIST
Inp	954.00		NIST
Tboil	419.94	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, 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	[173.52; 365.38]	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			2.42430e+01
Coefficient B			6.50040e-01
Coefficient C			-4.04200e-04
Coefficient D			9.53000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	173.52	J/mol×K	273.00	Calculated Property
Cp,gas	207.84	J/mol×K	353.78	Calculated Property
Cp,gas	238.21	J/mol×K	434.56	Calculated Property
Cp,gas	264.93	J/mol×K	515.33	Calculated Property
Cp,gas	288.29	J/mol×K	596.11	Calculated Property
Cp,gas	308.61	J/mol×K	676.89	Calculated Property
Cp,gas	326.17	J/mol×K	757.67	Calculated Property
Cp,gas	341.29	J/mol×K	838.44	Calculated Property
Cp,gas	354.26	J/mol×K	919.22	Calculated Property
Cp,gas	365.38	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0051604; 0.0002816]	Pa×s	[241.87; 435.83]	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			-1.18019e+01
Coefficient B			1.58067e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			241.87
Temperature range, max.			435.83
η	0.0051604	Pa×s	241.87	Calculated Property
η	0.0030233	Pa×s	263.42	Calculated Property
η	0.0019204	Pa×s	284.97	Calculated Property
η	0.0013003	Pa×s	306.52	Calculated Property
η	0.0009266	Pa×s	328.08	Calculated Property
η	0.0006885	Pa×s	349.63	Calculated Property
η	0.0005296	Pa×s	371.18	Calculated Property
η	0.0004192	Pa×s	392.73	Calculated Property
η	0.0003400	Pa×s	414.28	Calculated Property
η	0.0002816	Pa×s	435.83	Calculated Property

Similar Compounds

Find more compounds similar to Propyl 1,1-dichloropropyl ether.

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.
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