Chemical Properties of Isophthalic acid, 2,6-dimethoxyphenyl ethyl ester

InChI

InChI=1S/C18H18O6/c1-4-23-17(19)12-7-5-8-13(11-12)18(20)24-16-14(21-2)9-6-10-15(16)22-3/h5-11H,4H2,1-3H3

InChI Key

KEJUOWFKTLQCGS-UHFFFAOYSA-N

Formula

C18H18O6

SMILES

CCOC(=O)c1cccc(C(=O)Oc2c(OC)cccc2OC)c1

Molecular Weight¹

330.33

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.9153		Relay (... Calculated Property
ΔfG°	-381.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-799.87	kJ/mol	Relay (... Calculated Property
ΔfusH°	37.24	kJ/mol	Joback Calculated Property
ΔvapH°	99.43	kJ/mol	Relay (... Calculated Property
IE	8.08	eV	Relay (... Calculated Property
log10WS	-4.00		Relay (... Calculated Property
logPoct/wat	3.100		Crippen Calculated Property
McVol	243.580	ml/mol	McGowan Calculated Property
Pc	1938.95	kPa	Joback Calculated Property
Inp	[2653.00; 2653.00]
Inp	2653.00		NIST
Inp	2653.00		NIST
Tboil	660.97	K	Relay (... Calculated Property
Tc	903.09	K	Relay (... Calculated Property
Tfus	370.09	K	Relay (... Calculated Property
Vc	0.903	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[718.64; 771.55]	J/mol×K	[876.96; 1103.73]
Cp,gas	718.64	J/mol×K	876.96	Joback Calculated Property
Cp,gas	731.05	J/mol×K	914.75	Joback Calculated Property
Cp,gas	742.05	J/mol×K	952.55	Joback Calculated Property
Cp,gas	751.62	J/mol×K	990.34	Joback Calculated Property
Cp,gas	759.74	J/mol×K	1028.14	Joback Calculated Property
Cp,gas	766.39	J/mol×K	1065.93	Joback Calculated Property
Cp,gas	771.55	J/mol×K	1103.73	Joback Calculated Property
η	[0.0000432; 0.0002521]	Pa×s	[571.80; 876.96]
η	0.0002521	Pa×s	571.80	Joback Calculated Property
η	0.0001666	Pa×s	622.66	Joback Calculated Property
η	0.0001172	Pa×s	673.52	Joback Calculated Property
η	0.0000866	Pa×s	724.38	Joback Calculated Property
η	0.0000666	Pa×s	775.24	Joback Calculated Property
η	0.0000529	Pa×s	826.10	Joback Calculated Property
η	0.0000432	Pa×s	876.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, 2,6-dimethoxyphenyl ethyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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