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

InChI

InChI=1S/C17H20O6/c1-5-12(2)22-15(18)10-7-11-16(19)23-17-13(20-3)8-6-9-14(17)21-4/h1,6,8-9,12H,7,10-11H2,2-4H3

InChI Key

FSMRGUGMWRELBU-UHFFFAOYSA-N

Formula

C17H20O6

SMILES

C#CC(C)OC(=O)CCCC(=O)Oc1c(OC)cccc1OC

Molecular Weight¹

320.34

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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°	-271.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-648.04	kJ/mol	Joback Calculated Property
ΔfusH°	40.45	kJ/mol	Joback Calculated Property
ΔvapH°	79.64	kJ/mol	Joback Calculated Property
log10WS	-3.72		Crippen Calculated Property
logPoct/wat	2.344		Crippen Calculated Property
McVol	244.650	ml/mol	McGowan Calculated Property
Pc	1834.11	kPa	Joback Calculated Property
Inp	[2259.00; 2259.00]
Inp	2259.00		NIST
Inp	2259.00		NIST
Tboil	812.10	K	Joback Calculated Property
Tc	1023.06	K	Joback Calculated Property
Tfus	553.56	K	Joback Calculated Property
Vc	0.919	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[706.19; 771.82]	J/mol×K	[812.10; 1023.06]
Cp,gas	706.19	J/mol×K	812.10	Joback Calculated Property
Cp,gas	719.95	J/mol×K	847.26	Joback Calculated Property
Cp,gas	732.61	J/mol×K	882.42	Joback Calculated Property
Cp,gas	744.13	J/mol×K	917.58	Joback Calculated Property
Cp,gas	754.52	J/mol×K	952.74	Joback Calculated Property
Cp,gas	763.75	J/mol×K	987.90	Joback Calculated Property
Cp,gas	771.82	J/mol×K	1023.06	Joback Calculated Property

Similar Compounds

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

Sources

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

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