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

InChI

InChI=1S/C5H7ClO/c6-5-3-1-2-4-7-5/h2,4-5H,1,3H2

InChI Key

IJXCBEOMAZHCSV-UHFFFAOYSA-N

Formula

C5H7ClO

SMILES

ClC1CCC=CO1

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	13.94	kJ/mol	Joback Calculated Property
logPoct/wat	1.875		Crippen Calculated Property
McVol	84.260	ml/mol	McGowan Calculated Property
Inp	[910.00; 910.00]
Inp	910.00		NIST
Inp	910.00		NIST
Tboil	403.64	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	[97.72; 258.85]	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			-2.92700e+01
Coefficient B			5.48700e-01
Coefficient C			-3.22980e-04
Coefficient D			6.24000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	97.72	J/mol×K	273.00	Calculated Property
Cp,gas	127.19	J/mol×K	353.78	Calculated Property
Cp,gas	153.30	J/mol×K	434.56	Calculated Property
Cp,gas	176.26	J/mol×K	515.33	Calculated Property
Cp,gas	196.26	J/mol×K	596.11	Calculated Property
Cp,gas	213.51	J/mol×K	676.89	Calculated Property
Cp,gas	228.19	J/mol×K	757.67	Calculated Property
Cp,gas	240.51	J/mol×K	838.44	Calculated Property
Cp,gas	250.67	J/mol×K	919.22	Calculated Property
Cp,gas	258.85	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0054581; 0.0002927]	Pa×s	[210.74; 430.46]	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			-1.09426e+01
Coefficient B			1.20794e+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.			210.74
Temperature range, max.			430.46
η	0.0054581	Pa×s	210.74	Calculated Property
η	0.0030103	Pa×s	235.15	Calculated Property
η	0.0018569	Pa×s	259.57	Calculated Property
η	0.0012446	Pa×s	283.98	Calculated Property
η	0.0008888	Pa×s	308.39	Calculated Property
η	0.0006668	Pa×s	332.80	Calculated Property
η	0.0005203	Pa×s	357.22	Calculated Property
η	0.0004191	Pa×s	381.63	Calculated Property
η	0.0003465	Pa×s	406.04	Calculated Property
η	0.0002927	Pa×s	430.46	Calculated Property

Similar Compounds

Find more compounds similar to 2-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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