Chemical Properties of Ethyl 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate (CAS 57074-24-5)

InChI

InChI=1S/C11H13ClO4/c1-4-16-11(14)9-6(2)10(12)8(15-3)5-7(9)13/h5,13H,4H2,1-3H3

InChI Key

DTAMIZHNUNMPJD-UHFFFAOYSA-N

Formula

C11H13ClO4

SMILES

CCOC(=O)c1c(O)cc(OC)c(Cl)c1C

Molecular Weight¹

244.67

CAS

57074-24-5

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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

Property	Value	Unit	Source
ΔfH°gas	-684.96	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.66	kJ/mol	Joback Calculated Property
logPoct/wat	2.539		Crippen Calculated Property
McVol	173.510	ml/mol	McGowan Calculated Property
Inp	[1874.70; 1874.70]
Inp	1874.70		NIST
Inp	1874.70		NIST
Tboil	572.01	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[439.86; 498.81]	J/mol×K	[691.59; 912.21]
Cp,gas	439.86	J/mol×K	691.59	Joback Calculated Property
Cp,gas	451.31	J/mol×K	728.36	Joback Calculated Property
Cp,gas	462.08	J/mol×K	765.13	Joback Calculated Property
Cp,gas	472.18	J/mol×K	801.90	Joback Calculated Property
Cp,gas	481.65	J/mol×K	838.67	Joback Calculated Property
Cp,gas	490.51	J/mol×K	875.44	Joback Calculated Property
Cp,gas	498.81	J/mol×K	912.21	Joback Calculated Property
η	[0.0000125; 0.0001950]	Pa×s	[483.91; 691.59]
η	0.0001950	Pa×s	483.91	Joback Calculated Property
η	0.0001060	Pa×s	518.52	Joback Calculated Property
η	0.0000621	Pa×s	553.14	Joback Calculated Property
η	0.0000388	Pa×s	587.75	Joback Calculated Property
η	0.0000255	Pa×s	622.36	Joback Calculated Property
η	0.0000176	Pa×s	656.98	Joback Calculated Property
η	0.0000125	Pa×s	691.59	Joback Calculated Property

Similar Compounds

Find more compounds similar to Ethyl 3-chloro-6-hydroxy-4-methoxy-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

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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