Chemical Properties of 2-(4-Ethyl-2-acetoxy-5-methoxyphenyl)acetic acid, methyl ester

InChI

InChI=1S/C14H18O5/c1-5-10-6-13(19-9(2)15)11(7-12(10)17-3)8-14(16)18-4/h6-7H,5,8H2,1-4H3

InChI Key

BNNIYXSEQMEFMT-UHFFFAOYSA-N

Formula

C14H18O5

SMILES

CCc1cc(OC(C)=O)c(CC(=O)OC)cc1OC

Molecular Weight¹

266.29

Other Names

• 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-desamino-COOH), isomer 1, methyl-acetylated

• 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°	-422.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-751.99	kJ/mol	Joback Calculated Property
ΔfusH°	31.65	kJ/mol	Joback Calculated Property
ΔvapH°	71.74	kJ/mol	Joback Calculated Property
log10WS	-2.79		Crippen Calculated Property
logPoct/wat	1.898		Crippen Calculated Property
McVol	205.110	ml/mol	McGowan Calculated Property
Pc	2064.24	kPa	Joback Calculated Property
Inp	[1980.00; 1980.00]
Inp	1980.00		NIST
Inp	1980.00		NIST
Tboil	736.34	K	Joback Calculated Property
Tc	942.40	K	Joback Calculated Property
Tfus	478.07	K	Joback Calculated Property
Vc	0.777	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[564.66; 634.16]	J/mol×K	[736.34; 942.40]
Cp,gas	564.66	J/mol×K	736.34	Joback Calculated Property
Cp,gas	578.51	J/mol×K	770.68	Joback Calculated Property
Cp,gas	591.48	J/mol×K	805.03	Joback Calculated Property
Cp,gas	603.54	J/mol×K	839.37	Joback Calculated Property
Cp,gas	614.69	J/mol×K	873.71	Joback Calculated Property
Cp,gas	624.91	J/mol×K	908.05	Joback Calculated Property
Cp,gas	634.16	J/mol×K	942.40	Joback Calculated Property
η	[0.0000923; 0.0005238]	Pa×s	[478.07; 736.34]
η	0.0005238	Pa×s	478.07	Joback Calculated Property
η	0.0003480	Pa×s	521.12	Joback Calculated Property
η	0.0002461	Pa×s	564.16	Joback Calculated Property
η	0.0001828	Pa×s	607.20	Joback Calculated Property
η	0.0001412	Pa×s	650.25	Joback Calculated Property
η	0.0001126	Pa×s	693.29	Joback Calculated Property
η	0.0000923	Pa×s	736.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-(4-Ethyl-2-acetoxy-5-methoxyphenyl)acetic acid, methyl ester.

Sources

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

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