Chemical Properties of Formic acid, (4-chloro-2-methoxyphenyl)methyl ester

InChI

InChI=1S/C9H9ClO3/c1-12-9-4-8(10)3-2-7(9)5-13-6-11/h2-4,6H,5H2,1H3

InChI Key

KZQCTTJBDTWLDC-UHFFFAOYSA-N

Formula

C9H9ClO3

SMILES

COc1cc(Cl)ccc1COC=O

Molecular Weight¹

200.62

• 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

Property	Value	Unit	Source
ΔfusH°	23.77	kJ/mol	Joback Calculated Property
logPoct/wat	2.022		Crippen Calculated Property
McVol	139.460	ml/mol	McGowan Calculated Property
Inp	[1513.00; 1513.00]
Inp	1513.00		NIST
Inp	1513.00		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, 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	[183.88; 377.79]	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			3.27910e+01
Coefficient B			6.52820e-01
Coefficient C			-3.85120e-04
Coefficient D			7.73000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	183.88	J/mol×K	273.00	Calculated Property
Cp,gas	218.97	J/mol×K	353.78	Calculated Property
Cp,gas	250.10	J/mol×K	434.56	Calculated Property
Cp,gas	277.51	J/mol×K	515.33	Calculated Property
Cp,gas	301.47	J/mol×K	596.11	Calculated Property
Cp,gas	322.20	J/mol×K	676.89	Calculated Property
Cp,gas	339.95	J/mol×K	757.67	Calculated Property
Cp,gas	354.97	J/mol×K	838.44	Calculated Property
Cp,gas	367.50	J/mol×K	919.22	Calculated Property
Cp,gas	377.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013244; 0.0003624]	Pa×s	[353.50; 541.88]	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			-1.03546e+01
Coefficient B			1.31778e+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.			353.50
Temperature range, max.			541.88
η	0.0013244	Pa×s	353.50	Calculated Property
η	0.0010753	Pa×s	374.43	Calculated Property
η	0.0008925	Pa×s	395.36	Calculated Property
η	0.0007548	Pa×s	416.29	Calculated Property
η	0.0006487	Pa×s	437.22	Calculated Property
η	0.0005652	Pa×s	458.15	Calculated Property
η	0.0004985	Pa×s	479.09	Calculated Property
η	0.0004443	Pa×s	500.02	Calculated Property
η	0.0003996	Pa×s	520.95	Calculated Property
η	0.0003624	Pa×s	541.88	Calculated Property

Similar Compounds

Find more compounds similar to Formic acid, (4-chloro-2-methoxyphenyl)methyl ester.

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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