Chemical Properties of 2-Allyl-4-chlorophenyl allyl ether

InChI

InChI=1S/C12H13ClO/c1-3-5-10-9-11(13)6-7-12(10)14-8-4-2/h3-4,6-7,9H,1-2,5,8H2

InChI Key

BWKRYENOKBVWNT-UHFFFAOYSA-N

Formula

C12H13ClO

SMILES

C=CCOc1ccc(Cl)cc1CC=C

Molecular Weight¹

208.69

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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 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	[217.08; 483.56]	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			1.90820e+01
Coefficient B			8.49500e-01
Coefficient C			-4.81320e-04
Coefficient D			9.63000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	217.08	J/mol×K	273.00	Calculated Property
Cp,gas	263.64	J/mol×K	353.78	Calculated Property
Cp,gas	305.25	J/mol×K	434.56	Calculated Property
Cp,gas	342.21	J/mol×K	515.33	Calculated Property
Cp,gas	374.84	J/mol×K	596.11	Calculated Property
Cp,gas	403.43	J/mol×K	676.89	Calculated Property
Cp,gas	428.30	J/mol×K	757.67	Calculated Property
Cp,gas	449.74	J/mol×K	838.44	Calculated Property
Cp,gas	468.06	J/mol×K	919.22	Calculated Property
Cp,gas	483.56	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012666; 0.0001897]	Pa×s	[325.09; 543.88]	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			-1.13912e+01
Coefficient B			1.53435e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			325.09
Temperature range, max.			543.88
η	0.0012666	Pa×s	325.09	Calculated Property
η	0.0009121	Pa×s	349.40	Calculated Property
η	0.0006854	Pa×s	373.71	Calculated Property
η	0.0005334	Pa×s	398.02	Calculated Property
η	0.0004273	Pa×s	422.33	Calculated Property
η	0.0003506	Pa×s	446.64	Calculated Property
η	0.0002936	Pa×s	470.95	Calculated Property
η	0.0002502	Pa×s	495.26	Calculated Property
η	0.0002165	Pa×s	519.57	Calculated Property
η	0.0001897	Pa×s	543.88	Calculated Property

Similar Compounds

Find more compounds similar to 2-Allyl-4-chlorophenyl allyl 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

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