Chemical Properties of 2,5-Dichlorobenzyl alcohol, n-butyl ether

InChI

InChI=1S/C11H14Cl2O/c1-2-3-6-14-8-9-7-10(12)4-5-11(9)13/h4-5,7H,2-3,6,8H2,1H3

InChI Key

ZQHXBGQPYBLWEU-UHFFFAOYSA-N

Formula

C11H14Cl2O

SMILES

CCCCOCc1cc(Cl)ccc1Cl

Molecular Weight¹

233.13

• 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°	27.09	kJ/mol	Joback Calculated Property
log10WS	-4.23		Relay (1.0) Calculated Property
logPoct/wat	4.310		Crippen Calculated Property
McVol	172.440	ml/mol	McGowan Calculated Property
Inp	[1603.00; 1603.00]
Inp	1603.00		NIST
Inp	1603.00		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	[228.89; 497.26]	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			3.88640e+01
Coefficient B			8.01320e-01
Coefficient C			-4.01520e-04
Coefficient D			5.86000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	228.89	J/mol×K	273.00	Calculated Property
Cp,gas	274.69	J/mol×K	353.78	Calculated Property
Cp,gas	316.07	J/mol×K	434.56	Calculated Property
Cp,gas	353.20	J/mol×K	515.33	Calculated Property
Cp,gas	386.27	J/mol×K	596.11	Calculated Property
Cp,gas	415.47	J/mol×K	676.89	Calculated Property
Cp,gas	440.99	J/mol×K	757.67	Calculated Property
Cp,gas	463.00	J/mol×K	838.44	Calculated Property
Cp,gas	481.70	J/mol×K	919.22	Calculated Property
Cp,gas	497.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013156; 0.0001979]	Pa×s	[347.26; 557.98]	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			-1.16494e+01
Coefficient B			1.74183e+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.			347.26
Temperature range, max.			557.98
η	0.0013156	Pa×s	347.26	Calculated Property
η	0.0009584	Pa×s	370.67	Calculated Property
η	0.0007249	Pa×s	394.09	Calculated Property
η	0.0005658	Pa×s	417.50	Calculated Property
η	0.0004533	Pa×s	440.91	Calculated Property
η	0.0003715	Pa×s	464.33	Calculated Property
η	0.0003102	Pa×s	487.74	Calculated Property
η	0.0002634	Pa×s	511.15	Calculated Property
η	0.0002269	Pa×s	534.57	Calculated Property
η	0.0001979	Pa×s	557.98	Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Dichlorobenzyl alcohol, n-butyl 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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