Chemical Properties of 2,3-Dichlorobenzyl alcohol, n-pentyl ether

InChI

InChI=1S/C12H16Cl2O/c1-2-3-4-8-15-9-10-6-5-7-11(13)12(10)14/h5-7H,2-4,8-9H2,1H3

InChI Key

PKYGCJGTLHRGKZ-UHFFFAOYSA-N

Formula

C12H16Cl2O

SMILES

CCCCCOCc1cccc(Cl)c1Cl

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	[250.11; 548.85]	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			3.79550e+01
Coefficient B			8.96320e-01
Coefficient C			-4.55920e-04
Coefficient D			7.05000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	250.11	J/mol×K	273.00	Calculated Property
Cp,gas	301.11	J/mol×K	353.78	Calculated Property
Cp,gas	347.15	J/mol×K	434.56	Calculated Property
Cp,gas	388.43	J/mol×K	515.33	Calculated Property
Cp,gas	425.18	J/mol×K	596.11	Calculated Property
Cp,gas	457.64	J/mol×K	676.89	Calculated Property
Cp,gas	486.01	J/mol×K	757.67	Calculated Property
Cp,gas	510.52	J/mol×K	838.44	Calculated Property
Cp,gas	531.39	J/mol×K	919.22	Calculated Property
Cp,gas	548.86	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012696; 0.0001882]	Pa×s	[358.53; 571.61]	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			-1.17899e+01
Coefficient B			1.83599e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			358.53
Temperature range, max.			571.61
η	0.0012696	Pa×s	358.53	Calculated Property
η	0.0009245	Pa×s	382.21	Calculated Property
η	0.0006986	Pa×s	405.88	Calculated Property
η	0.0005444	Pa×s	429.56	Calculated Property
η	0.0004355	Pa×s	453.23	Calculated Property
η	0.0003561	Pa×s	476.91	Calculated Property
η	0.0002969	Pa×s	500.58	Calculated Property
η	0.0002515	Pa×s	524.26	Calculated Property
η	0.0002162	Pa×s	547.94	Calculated Property
η	0.0001882	Pa×s	571.61	Calculated Property

Similar Compounds

Find more compounds similar to 2,3-Dichlorobenzyl alcohol, n-pentyl 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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