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

379.36

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	197.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-251.43	kJ/mol	Joback Calculated Property
ΔfusH°	34.02	kJ/mol	Joback Calculated Property
ΔvapH°	80.35	kJ/mol	Joback Calculated Property
log10WS	-7.81		Crippen Calculated Property
logPoct/wat	7.307		Crippen Calculated Property
McVol	303.670	ml/mol	McGowan Calculated Property
Pc	1293.00	kPa	Joback Calculated Property
Inp	[2523.80; 2523.80]
Inp	2523.80		NIST
Inp	2523.80		NIST
Tboil	866.86	K	Joback Calculated Property
Tc	1102.08	K	Joback Calculated Property
Tfus	527.53	K	Joback Calculated Property
Vc	1.145	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[890.76; 975.46]	J/mol×K	[866.86; 1102.08]
Cp,gas	890.76	J/mol×K	866.86	Joback Calculated Property
Cp,gas	907.58	J/mol×K	906.06	Joback Calculated Property
Cp,gas	923.17	J/mol×K	945.27	Joback Calculated Property
Cp,gas	937.64	J/mol×K	984.47	Joback Calculated Property
Cp,gas	951.11	J/mol×K	1023.68	Joback Calculated Property
Cp,gas	963.67	J/mol×K	1062.88	Joback Calculated Property
Cp,gas	975.46	J/mol×K	1102.08	Joback Calculated Property
η	[0.0000294; 0.0003130]	Pa×s	[527.53; 866.86]
η	0.0003130	Pa×s	527.53	Joback Calculated Property
η	0.0001743	Pa×s	584.08	Joback Calculated Property
η	0.0001076	Pa×s	640.64	Joback Calculated Property
η	0.0000719	Pa×s	697.19	Joback Calculated Property
η	0.0000510	Pa×s	753.75	Joback Calculated Property
η	0.0000380	Pa×s	810.30	Joback Calculated Property
η	0.0000294	Pa×s	866.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to Clofoctol, methyl ether.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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