Chemical Properties of Ethyl 2-hydroxy-4-methoxy-6-propylbenzoate (CAS 53530-26-0)

InChI

InChI=1S/C13H18O4/c1-4-6-9-7-10(16-3)8-11(14)12(9)13(15)17-5-2/h7-8,14H,4-6H2,1-3H3

InChI Key

ZTEGMSJYDACIAV-UHFFFAOYSA-N

Formula

C13H18O4

SMILES

CCCc1cc(OC)cc(O)c1C(=O)OCC

Molecular Weight¹

238.28

CAS

53530-26-0

• 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

Property	Value	Unit	Source
ΔfusH°	34.03	kJ/mol	Joback Calculated Property
logPoct/wat	2.530		Crippen Calculated Property
McVol	189.450	ml/mol	McGowan Calculated Property
Inp	[1803.10; 1803.10]
Inp	1803.10		NIST
Inp	1803.10		NIST
Tboil	579.18	K	Relay (1.0) Calculated Property

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[518.84; 589.95]	J/mol×K	[694.94; 904.91]
Cp,gas	518.84	J/mol×K	694.94	Joback Calculated Property
Cp,gas	532.56	J/mol×K	729.94	Joback Calculated Property
Cp,gas	545.48	J/mol×K	764.93	Joback Calculated Property
Cp,gas	557.64	J/mol×K	799.93	Joback Calculated Property
Cp,gas	569.08	J/mol×K	834.92	Joback Calculated Property
Cp,gas	579.84	J/mol×K	869.92	Joback Calculated Property
Cp,gas	589.95	J/mol×K	904.91	Joback Calculated Property
η	[0.0000107; 0.0002671]	Pa×s	[464.01; 694.94]
η	0.0002671	Pa×s	464.01	Joback Calculated Property
η	0.0001273	Pa×s	502.50	Joback Calculated Property
η	0.0000674	Pa×s	540.99	Joback Calculated Property
η	0.0000388	Pa×s	579.48	Joback Calculated Property
η	0.0000240	Pa×s	617.96	Joback Calculated Property
η	0.0000157	Pa×s	656.45	Joback Calculated Property
η	0.0000107	Pa×s	694.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to Ethyl 2-hydroxy-4-methoxy-6-propylbenzoate.

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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