Chemical Properties of 5-Chloro-3,4-dihydro-2H-pyran

InChI

InChI=1S/C5H7ClO/c6-5-2-1-3-7-4-5/h4H,1-3H2

InChI Key

JEMCFUFHXLLFMO-UHFFFAOYSA-N

Formula

C5H7ClO

SMILES

ClC1=COCCC1

Molecular Weight¹

118.56

• 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°	12.48	kJ/mol	Joback Calculated Property
logPoct/wat	1.877		Crippen Calculated Property
McVol	84.260	ml/mol	McGowan Calculated Property
Inp	[935.00; 935.00]
Inp	935.00		NIST
Inp	935.00		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	[98.01; 249.15]	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			-2.09100e+01
Coefficient B			5.15700e-01
Coefficient C			-3.11340e-04
Coefficient D			6.57000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	98.01	J/mol×K	273.00	Calculated Property
Cp,gas	125.48	J/mol×K	353.78	Calculated Property
Cp,gas	149.79	J/mol×K	434.56	Calculated Property
Cp,gas	171.16	J/mol×K	515.33	Calculated Property
Cp,gas	189.79	J/mol×K	596.11	Calculated Property
Cp,gas	205.89	J/mol×K	676.89	Calculated Property
Cp,gas	219.67	J/mol×K	757.67	Calculated Property
Cp,gas	231.33	J/mol×K	838.44	Calculated Property
Cp,gas	241.09	J/mol×K	919.22	Calculated Property
Cp,gas	249.15	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0054918; 0.0002812]	Pa×s	[227.50; 438.73]	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			-1.13776e+01
Coefficient B			1.40437e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			227.50
Temperature range, max.			438.73
η	0.0054918	Pa×s	227.50	Calculated Property
η	0.0030832	Pa×s	250.97	Calculated Property
η	0.0019106	Pa×s	274.44	Calculated Property
η	0.0012767	Pa×s	297.91	Calculated Property
η	0.0009048	Pa×s	321.38	Calculated Property
η	0.0006720	Pa×s	344.85	Calculated Property
η	0.0005184	Pa×s	368.32	Calculated Property
η	0.0004126	Pa×s	391.79	Calculated Property
η	0.0003369	Pa×s	415.26	Calculated Property
η	0.0002812	Pa×s	438.73	Calculated Property

Similar Compounds

Find more compounds similar to 5-Chloro-3,4-dihydro-2H-pyran.

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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