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

InChI

InChI=1S/C13H18O4/c1-5-9-6-12(16-3)10(7-11(9)15-2)8-13(14)17-4/h6-7H,5,8H2,1-4H3

InChI Key

GPVGRIVMLABONX-UHFFFAOYSA-N

Formula

C13H18O4

SMILES

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

Molecular Weight¹

238.28

Other Names

• 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (desamino-COOH), methyl

• 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°	-301.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-618.77	kJ/mol	Joback Calculated Property
ΔfusH°	27.46	kJ/mol	Joback Calculated Property
ΔvapH°	62.77	kJ/mol	Joback Calculated Property
log10WS	-2.60		Crippen Calculated Property
logPoct/wat	1.982		Crippen Calculated Property
McVol	189.450	ml/mol	McGowan Calculated Property
Pc	2127.56	kPa	Joback Calculated Property
Inp	[1820.00; 1820.00]
Inp	1820.00		NIST
Inp	1820.00		NIST
Tboil	659.59	K	Joback Calculated Property
Tc	861.54	K	Joback Calculated Property
Tfus	416.87	K	Joback Calculated Property
Vc	0.716	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[494.68; 571.35]	J/mol×K	[659.59; 861.54]
Cp,gas	494.68	J/mol×K	659.59	Joback Calculated Property
Cp,gas	509.36	J/mol×K	693.25	Joback Calculated Property
Cp,gas	523.31	J/mol×K	726.91	Joback Calculated Property
Cp,gas	536.50	J/mol×K	760.56	Joback Calculated Property
Cp,gas	548.92	J/mol×K	794.22	Joback Calculated Property
Cp,gas	560.54	J/mol×K	827.88	Joback Calculated Property
Cp,gas	571.35	J/mol×K	861.54	Joback Calculated Property
η	[0.0001016; 0.0006082]	Pa×s	[416.87; 659.59]
η	0.0006082	Pa×s	416.87	Joback Calculated Property
η	0.0003956	Pa×s	457.32	Joback Calculated Property
η	0.0002760	Pa×s	497.78	Joback Calculated Property
η	0.0002032	Pa×s	538.23	Joback Calculated Property
η	0.0001562	Pa×s	578.68	Joback Calculated Property
η	0.0001242	Pa×s	619.14	Joback Calculated Property
η	0.0001016	Pa×s	659.59	Joback Calculated Property

Similar Compounds

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

Sources

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

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