Chemical Properties of 3,5-Dichlorobenzyl alcohol, acetate

InChI

InChI=1S/C9H8Cl2O2/c1-6(12)13-5-7-2-8(10)4-9(11)3-7/h2-4H,5H2,1H3

InChI Key

AUBLCENCKCEUKL-UHFFFAOYSA-N

Formula

C9H8Cl2O2

SMILES

CC(=O)OCc1cc(Cl)cc(Cl)c1

Molecular Weight¹

219.07

• 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).
• Δ_vapH° : Enthalpy of vaporization 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	25.09	kJ/mol	Joback Calculated Property
ΔvapH°	70.69	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.056		Crippen Calculated Property
McVol	145.830	ml/mol	McGowan Calculated Property
Inp	[1513.00; 1513.00]
Inp	1513.00		NIST
Inp	1513.00		NIST
Tboil	524.93	K	Relay (1.0) Calculated Property
Tfus	284.18	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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	[187.40; 383.69]	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			4.05910e+01
Coefficient B			6.19720e-01
Coefficient C			-3.09120e-04
Coefficient D			3.25000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	187.40	J/mol×K	273.00	Calculated Property
Cp,gas	222.58	J/mol×K	353.78	Calculated Property
Cp,gas	254.19	J/mol×K	434.56	Calculated Property
Cp,gas	282.31	J/mol×K	515.33	Calculated Property
Cp,gas	307.05	J/mol×K	596.11	Calculated Property
Cp,gas	328.52	J/mol×K	676.89	Calculated Property
Cp,gas	346.81	J/mol×K	757.67	Calculated Property
Cp,gas	362.04	J/mol×K	838.44	Calculated Property
Cp,gas	374.30	J/mol×K	919.22	Calculated Property
Cp,gas	383.69	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016398; 0.0002153]	Pa×s	[344.82; 560.12]	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			-1.16946e+01
Coefficient B			1.82114e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			344.82
Temperature range, max.			560.12
η	0.0016398	Pa×s	344.82	Calculated Property
η	0.0011641	Pa×s	368.74	Calculated Property
η	0.0008616	Pa×s	392.66	Calculated Property
η	0.0006602	Pa×s	416.59	Calculated Property
η	0.0005206	Pa×s	440.51	Calculated Property
η	0.0004208	Pa×s	464.43	Calculated Property
η	0.0003473	Pa×s	488.35	Calculated Property
η	0.0002918	Pa×s	512.27	Calculated Property
η	0.0002490	Pa×s	536.20	Calculated Property
η	0.0002153	Pa×s	560.12	Calculated Property

Similar Compounds

Find more compounds similar to 3,5-Dichlorobenzyl alcohol, acetate.

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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