Chemical Properties of Ethyl 3-chloro-5-formyl-4,6-dihydroxy-2-methylbenzoate (CAS 57857-81-5)

InChI

InChI=1S/C11H11ClO5/c1-3-17-11(16)7-5(2)8(12)10(15)6(4-13)9(7)14/h4,14-15H,3H2,1-2H3

InChI Key

QWBSIYICLWCIDS-UHFFFAOYSA-N

Formula

C11H11ClO5

SMILES

CCOC(=O)c1c(C)c(Cl)c(O)c(C=O)c1O

Molecular Weight¹

258.65

CAS

57857-81-5

• 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).
• IE : Ionization energy (eV).
• 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, 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	[257.66; 511.18]	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			3.37410e+01
Coefficient B			1.02714e+00
Coefficient C			-8.36200e-04
Coefficient D			2.86500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	257.66	J/mol×K	273.00	Calculated Property
Cp,gas	305.15	J/mol×K	353.78	Calculated Property
Cp,gas	345.69	J/mol×K	434.56	Calculated Property
Cp,gas	380.20	J/mol×K	515.33	Calculated Property
Cp,gas	409.58	J/mol×K	596.11	Calculated Property
Cp,gas	434.73	J/mol×K	676.89	Calculated Property
Cp,gas	456.55	J/mol×K	757.67	Calculated Property
Cp,gas	475.97	J/mol×K	838.44	Calculated Property
Cp,gas	493.88	J/mol×K	919.22	Calculated Property
Cp,gas	511.18	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000096; 0.0000018]	Pa×s	[615.40; 721.42]	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			-2.29325e+01
Coefficient B			7.00507e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			615.40
Temperature range, max.			721.42
η	0.0000096	Pa×s	615.40	Calculated Property
η	0.0000078	Pa×s	627.18	Calculated Property
η	0.0000063	Pa×s	638.96	Calculated Property
η	0.0000052	Pa×s	650.74	Calculated Property
η	0.0000043	Pa×s	662.52	Calculated Property
η	0.0000036	Pa×s	674.30	Calculated Property
η	0.0000030	Pa×s	686.08	Calculated Property
η	0.0000025	Pa×s	697.86	Calculated Property
η	0.0000021	Pa×s	709.64	Calculated Property
η	0.0000018	Pa×s	721.42	Calculated Property

Similar Compounds

Find more compounds similar to Ethyl 3-chloro-5-formyl-4,6-dihydroxy-2-methylbenzoate.

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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