Chemical Properties of Glutaric acid, 3-methylbut-2-yl 2,6-dimethoxyphenyl ester

InChI

InChI=1S/C18H26O6/c1-12(2)13(3)23-16(19)10-7-11-17(20)24-18-14(21-4)8-6-9-15(18)22-5/h6,8-9,12-13H,7,10-11H2,1-5H3

InChI Key

JZJWJGRNFFZOBQ-UHFFFAOYSA-N

Formula

C18H26O6

SMILES

COc1cccc(OC)c1OC(=O)CCCC(=O)OC(C)C(C)C

Molecular Weight¹

338.40

• 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	0.9239		Relay (1.0) Calculated Property
ΔfG°	-488.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-1044.95	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.54	kJ/mol	Joback Calculated Property
ΔvapH°	93.54	kJ/mol	Relay (1.0) Calculated Property
IE	8.12	eV	Relay (1.0) Calculated Property
log10WS	-3.06		Relay (1.0) Calculated Property
logPoct/wat	3.367		Crippen Calculated Property
McVol	267.340	ml/mol	McGowan Calculated Property
Pc	1512.85	kPa	Joback Calculated Property
Inp	[2349.00; 2349.00]
Inp	2349.00		NIST
Inp	2349.00		NIST
Tboil	630.91	K	Relay (1.0) Calculated Property
Tc	827.09	K	Relay (1.0) Calculated Property
Tfus	337.72	K	Relay (1.0) Calculated Property
Vc	0.979	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[818.86; 889.31]	J/mol×K	[844.42; 1049.87]
Cp,gas	818.86	J/mol×K	844.42	Joback Calculated Property
Cp,gas	833.78	J/mol×K	878.66	Joback Calculated Property
Cp,gas	847.45	J/mol×K	912.90	Joback Calculated Property
Cp,gas	859.85	J/mol×K	947.15	Joback Calculated Property
Cp,gas	870.97	J/mol×K	981.39	Joback Calculated Property
Cp,gas	880.80	J/mol×K	1015.63	Joback Calculated Property
Cp,gas	889.31	J/mol×K	1049.87	Joback Calculated Property
η	[0.0000348; 0.0003864]	Pa×s	[502.86; 844.42]
η	0.0003864	Pa×s	502.86	Joback Calculated Property
η	0.0002110	Pa×s	559.79	Joback Calculated Property
η	0.0001288	Pa×s	616.71	Joback Calculated Property
η	0.0000855	Pa×s	673.64	Joback Calculated Property
η	0.0000605	Pa×s	730.57	Joback Calculated Property
η	0.0000450	Pa×s	787.49	Joback Calculated Property
η	0.0000348	Pa×s	844.42	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-methylbut-2-yl 2,6-dimethoxyphenyl ester.

Sources

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

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