Chemical Properties of 2H-Pyran, tetrahydro, 3-chloro-2-ethoxy, # 2

InChI

InChI=1S/C7H13ClO2/c1-2-9-7-6(8)4-3-5-10-7/h6-7H,2-5H2,1H3

InChI Key

OZJLVSAMSVIOFG-UHFFFAOYSA-N

Formula

C7H13ClO2

SMILES

CCOC1OCCCC1Cl

Molecular Weight¹

164.63

• 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°	20.16	kJ/mol	Joback Calculated Property
logPoct/wat	1.767		Crippen Calculated Property
McVol	122.610	ml/mol	McGowan Calculated Property
Inp	[1105.00; 1105.00]
Inp	1105.00		NIST
Inp	1105.00		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	[164.29; 418.49]	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			-7.42900e+00
Coefficient B			7.05020e-01
Coefficient C			-2.78100e-04
Coefficient D			-1.00000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	164.29	J/mol×K	273.00	Calculated Property
Cp,gas	207.14	J/mol×K	353.78	Calculated Property
Cp,gas	246.34	J/mol×K	434.56	Calculated Property
Cp,gas	281.90	J/mol×K	515.33	Calculated Property
Cp,gas	313.81	J/mol×K	596.11	Calculated Property
Cp,gas	342.06	J/mol×K	676.89	Calculated Property
Cp,gas	366.66	J/mol×K	757.67	Calculated Property
Cp,gas	387.60	J/mol×K	838.44	Calculated Property
Cp,gas	404.88	J/mol×K	919.22	Calculated Property
Cp,gas	418.49	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0036730; 0.0002893]	Pa×s	[250.51; 469.05]	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			-1.10613e+01
Coefficient B			1.36642e+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.			250.51
Temperature range, max.			469.05
η	0.0036730	Pa×s	250.51	Calculated Property
η	0.0022683	Pa×s	274.79	Calculated Property
η	0.0015148	Pa×s	299.07	Calculated Property
η	0.0010749	Pa×s	323.36	Calculated Property
η	0.0008001	Pa×s	347.64	Calculated Property
η	0.0006190	Pa×s	371.92	Calculated Property
η	0.0004942	Pa×s	396.20	Calculated Property
η	0.0004050	Pa×s	420.49	Calculated Property
η	0.0003391	Pa×s	444.77	Calculated Property
η	0.0002893	Pa×s	469.05	Calculated Property

Similar Compounds

Find more compounds similar to 2H-Pyran, tetrahydro, 3-chloro-2-ethoxy, # 2.

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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