Chemical Properties of Clofoctol, methyl ether

InChI

InChI=1S/C22H28Cl2O/c1-21(2,3)14-22(4,5)17-8-10-20(25-6)16(12-17)11-15-7-9-18(23)13-19(15)24/h7-10,12-13H,11,14H2,1-6H3

InChI Key

WCOGVAKQAAUJCO-UHFFFAOYSA-N

Formula

C22H28Cl2O

SMILES

COc1ccc(C(C)(C)CC(C)(C)C)cc1Cc1ccc(Cl)cc1Cl

Molecular Weight¹

379.37

• 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).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	34.02	kJ/mol	Joback Calculated Property
log10WS	-8.17		Relay (1.0) Calculated Property
logPoct/wat	7.307		Crippen Calculated Property
McVol	303.670	ml/mol	McGowan Calculated Property
Inp	[2523.80; 2523.80]
Inp	2523.80		NIST
Inp	2523.80		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 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	[407.17; 943.09]	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			-2.53880e+01
Coefficient B			1.90012e+00
Coefficient C			-1.24064e-03
Coefficient D			3.09000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	407.17	J/mol×K	273.00	Calculated Property
Cp,gas	505.24	J/mol×K	353.78	Calculated Property
Cp,gas	591.40	J/mol×K	434.56	Calculated Property
Cp,gas	666.62	J/mol×K	515.33	Calculated Property
Cp,gas	731.89	J/mol×K	596.11	Calculated Property
Cp,gas	788.18	J/mol×K	676.89	Calculated Property
Cp,gas	836.47	J/mol×K	757.67	Calculated Property
Cp,gas	877.73	J/mol×K	838.44	Calculated Property
Cp,gas	912.95	J/mol×K	919.22	Calculated Property
Cp,gas	943.09	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003130; 0.0000462]	Pa×s	[527.53; 771.64]	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			-1.41155e+01
Coefficient B			3.18957e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			527.53
Temperature range, max.			771.64
η	0.0003130	Pa×s	527.53	Calculated Property
η	0.0002329	Pa×s	554.65	Calculated Property
η	0.0001781	Pa×s	581.78	Calculated Property
η	0.0001395	Pa×s	608.90	Calculated Property
η	0.0001116	Pa×s	636.02	Calculated Property
η	0.0000909	Pa×s	663.14	Calculated Property
η	0.0000752	Pa×s	690.27	Calculated Property
η	0.0000632	Pa×s	717.39	Calculated Property
η	0.0000537	Pa×s	744.51	Calculated Property
η	0.0000462	Pa×s	771.64	Calculated Property

Similar Compounds

Find more compounds similar to Clofoctol, methyl 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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