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

InChI

InChI=1S/C16H18O5/c1-4-12(2)20-15(17)10-7-11-16(18)21-14-9-6-5-8-13(14)19-3/h1,5-6,8-9,12H,7,10-11H2,2-3H3

InChI Key

JYDRXWPSYKDYAL-UHFFFAOYSA-N

Formula

C16H18O5

SMILES

C#CC(C)OC(=O)CCCC(=O)Oc1ccccc1OC

Molecular Weight¹

290.31

• ω : Acentric Factor.
• 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).
• 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	0.7475		Relay (1.0) Calculated Property
ΔfG°	-165.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-606.62	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.06	kJ/mol	Joback Calculated Property
ΔvapH°	91.97	kJ/mol	Relay (1.0) Calculated Property
IE	8.36	eV	Relay (1.0) Calculated Property
log10WS	-2.80		Relay (1.0) Calculated Property
logPoct/wat	2.336		Crippen Calculated Property
McVol	224.690	ml/mol	McGowan Calculated Property
Pc	2053.03	kPa	Joback Calculated Property
Inp	[2086.00; 2086.00]
Inp	2086.00		NIST
Inp	2086.00		NIST
Tboil	613.77	K	Relay (1.0) Calculated Property
Tc	813.29	K	Relay (1.0) Calculated Property
Tfus	350.10	K	Relay (1.0) Calculated Property
Vc	0.800	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[625.02; 693.95]	J/mol×K	[761.82; 975.19]
Cp,gas	625.02	J/mol×K	761.82	Joback Calculated Property
Cp,gas	639.05	J/mol×K	797.38	Joback Calculated Property
Cp,gas	652.05	J/mol×K	832.94	Joback Calculated Property
Cp,gas	664.04	J/mol×K	868.51	Joback Calculated Property
Cp,gas	675.02	J/mol×K	904.07	Joback Calculated Property
Cp,gas	684.98	J/mol×K	939.63	Joback Calculated Property
Cp,gas	693.95	J/mol×K	975.19	Joback Calculated Property

Similar Compounds

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

Sources

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

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