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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[277.73; 614.43]	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			2.77530e+01
Coefficient B			1.07756e+00
Coefficient C			-6.31280e-04
Coefficient D			1.40400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	277.73	J/mol×K	273.00	Calculated Property
Cp,gas	336.18	J/mol×K	353.78	Calculated Property
Cp,gas	388.32	J/mol×K	434.56	Calculated Property
Cp,gas	434.62	J/mol×K	515.33	Calculated Property
Cp,gas	475.51	J/mol×K	596.11	Calculated Property
Cp,gas	511.45	J/mol×K	676.89	Calculated Property
Cp,gas	542.86	J/mol×K	757.67	Calculated Property
Cp,gas	570.20	J/mol×K	838.44	Calculated Property
Cp,gas	593.91	J/mol×K	919.22	Calculated Property
Cp,gas	614.43	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002671; 0.0000201]	Pa×s	[464.01; 633.44]	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			-1.79045e+01
Coefficient B			4.49001e+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.			464.01
Temperature range, max.			633.44
η	0.0002671	Pa×s	464.01	Calculated Property
η	0.0001831	Pa×s	482.84	Calculated Property
η	0.0001292	Pa×s	501.66	Calculated Property
η	0.0000935	Pa×s	520.49	Calculated Property
η	0.0000692	Pa×s	539.31	Calculated Property
η	0.0000522	Pa×s	558.14	Calculated Property
η	0.0000402	Pa×s	576.96	Calculated Property
η	0.0000314	Pa×s	595.79	Calculated Property
η	0.0000249	Pa×s	614.61	Calculated Property
η	0.0000201	Pa×s	633.44	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

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