Chemical Properties of 2,5-Dichlorobenzyl alcohol, 2-methylbutyl ether

InChI

InChI=1S/C12H16Cl2O/c1-3-9(2)7-15-8-10-6-11(13)4-5-12(10)14/h4-6,9H,3,7-8H2,1-2H3

InChI Key

YYOMRSCKWQUQNO-UHFFFAOYSA-N

Formula

C12H16Cl2O

SMILES

CCC(C)COCc1cc(Cl)ccc1Cl

Molecular Weight¹

247.16

• 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

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	[249.79; 549.39]	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			3.62730e+01
Coefficient B			9.02240e-01
Coefficient C			-4.59120e-04
Coefficient D			7.00000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	249.79	J/mol×K	273.00	Calculated Property
Cp,gas	301.10	J/mol×K	353.78	Calculated Property
Cp,gas	347.39	J/mol×K	434.56	Calculated Property
Cp,gas	388.88	J/mol×K	515.33	Calculated Property
Cp,gas	425.79	J/mol×K	596.11	Calculated Property
Cp,gas	458.34	J/mol×K	676.89	Calculated Property
Cp,gas	486.75	J/mol×K	757.67	Calculated Property
Cp,gas	511.25	J/mol×K	838.44	Calculated Property
Cp,gas	532.06	J/mol×K	919.22	Calculated Property
Cp,gas	549.39	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015502; 0.0001732]	Pa×s	[343.53; 574.26]	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			-1.19239e+01
Coefficient B			1.87381e+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.			343.53
Temperature range, max.			574.26
η	0.0015502	Pa×s	343.53	Calculated Property
η	0.0010614	Pa×s	369.17	Calculated Property
η	0.0007634	Pa×s	394.80	Calculated Property
η	0.0005715	Pa×s	420.44	Calculated Property
η	0.0004424	Pa×s	446.08	Calculated Property
η	0.0003521	Pa×s	471.71	Calculated Property
η	0.0002869	Pa×s	497.35	Calculated Property
η	0.0002385	Pa×s	522.99	Calculated Property
η	0.0002017	Pa×s	548.63	Calculated Property
η	0.0001732	Pa×s	574.26	Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Dichlorobenzyl alcohol, 2-methylbutyl 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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