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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-341.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-652.39	kJ/mol	Joback Calculated Property
ΔfusH°	32.45	kJ/mol	Joback Calculated Property
ΔvapH°	72.71	kJ/mol	Joback Calculated Property
log10WS	-3.02		Crippen Calculated Property
logPoct/wat	2.530		Crippen Calculated Property
McVol	189.450	ml/mol	McGowan Calculated Property
Pc	2532.82	kPa	Joback Calculated Property
Inp	[1803.10; 1803.10]
Inp	1803.10		NIST
Inp	1803.10		NIST
Tboil	712.81	K	Joback Calculated Property
Tc	924.67	K	Joback Calculated Property
Tfus	493.84	K	Joback Calculated Property
Vc	0.663	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[522.84; 593.86]	J/mol×K	[712.81; 924.67]
Cp,gas	522.84	J/mol×K	712.81	Joback Calculated Property
Cp,gas	536.41	J/mol×K	748.12	Joback Calculated Property
Cp,gas	549.23	J/mol×K	783.43	Joback Calculated Property
Cp,gas	561.36	J/mol×K	818.74	Joback Calculated Property
Cp,gas	572.81	J/mol×K	854.05	Joback Calculated Property
Cp,gas	583.64	J/mol×K	889.36	Joback Calculated Property
Cp,gas	593.86	J/mol×K	924.67	Joback Calculated Property
η	[0.0000111; 0.0001794]	Pa×s	[493.84; 712.81]
η	0.0001794	Pa×s	493.84	Joback Calculated Property
η	0.0000962	Pa×s	530.34	Joback Calculated Property
η	0.0000559	Pa×s	566.83	Joback Calculated Property
η	0.0000347	Pa×s	603.33	Joback Calculated Property
η	0.0000228	Pa×s	639.82	Joback Calculated Property
η	0.0000156	Pa×s	676.31	Joback Calculated Property
η	0.0000111	Pa×s	712.81	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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