Chemical Properties of Formic acid, (3,5-dichlorophenyl)methyl ester

InChI

InChI=1S/C8H6Cl2O2/c9-7-1-6(4-12-5-11)2-8(10)3-7/h1-3,5H,4H2

InChI Key

VESGPGBIRGSNAU-UHFFFAOYSA-N

Formula

C8H6Cl2O2

SMILES

O=COCc1cc(Cl)cc(Cl)c1

Molecular Weight¹

205.04

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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	[160.67; 315.97]	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			2.10910e+01
Coefficient B			6.27800e-01
Coefficient C			-4.62120e-04
Coefficient D			1.29200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	160.67	J/mol×K	273.00	Calculated Property
Cp,gas	191.08	J/mol×K	353.78	Calculated Property
Cp,gas	217.24	J/mol×K	434.56	Calculated Property
Cp,gas	239.57	J/mol×K	515.33	Calculated Property
Cp,gas	258.48	J/mol×K	596.11	Calculated Property
Cp,gas	274.38	J/mol×K	676.89	Calculated Property
Cp,gas	287.67	J/mol×K	757.67	Calculated Property
Cp,gas	298.75	J/mol×K	838.44	Calculated Property
Cp,gas	308.05	J/mol×K	919.22	Calculated Property
Cp,gas	315.97	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016545; 0.0004520]	Pa×s	[349.92; 543.98]	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			-1.00418e+01
Coefficient B			1.27285e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			349.92
Temperature range, max.			543.98
η	0.0016545	Pa×s	349.92	Calculated Property
η	0.0013396	Pa×s	371.48	Calculated Property
η	0.0011100	Pa×s	393.05	Calculated Property
η	0.0009380	Pa×s	414.61	Calculated Property
η	0.0008059	Pa×s	436.17	Calculated Property
η	0.0007024	Pa×s	457.73	Calculated Property
η	0.0006198	Pa×s	479.30	Calculated Property
η	0.0005528	Pa×s	500.86	Calculated Property
η	0.0004978	Pa×s	522.42	Calculated Property
η	0.0004520	Pa×s	543.98	Calculated Property

Similar Compounds

Find more compounds similar to Formic acid, (3,5-dichlorophenyl)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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