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

InChI

InChI=1S/C18H22O5/c1-5-14(4)22-17(19)11-8-12-18(20)23-16-10-7-6-9-15(16)21-13(2)3/h1,6-7,9-10,13-14H,8,11-12H2,2-4H3

InChI Key

LIHDIPIUYUMPDC-UHFFFAOYSA-N

Formula

C18H22O5

SMILES

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

Molecular Weight¹

318.36

• 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	0.7784		Relay (1.0) Calculated Property
ΔfG°	-151.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-683.66	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.72	kJ/mol	Joback Calculated Property
ΔvapH°	92.36	kJ/mol	Relay (1.0) Calculated Property
IE	8.45	eV	Relay (1.0) Calculated Property
log10WS	-3.26		Relay (1.0) Calculated Property
logPoct/wat	3.114		Crippen Calculated Property
McVol	252.870	ml/mol	McGowan Calculated Property
Pc	1749.21	kPa	Joback Calculated Property
Inp	[2135.00; 2135.00]
Inp	2135.00		NIST
Inp	2135.00		NIST
Tboil	617.32	K	Relay (1.0) Calculated Property
Tc	816.53	K	Relay (1.0) Calculated Property
Tfus	345.70	K	Relay (1.0) Calculated Property
Vc	0.913	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[736.64; 808.22]	J/mol×K	[807.14; 1019.40]
Cp,gas	736.64	J/mol×K	807.14	Joback Calculated Property
Cp,gas	751.38	J/mol×K	842.52	Joback Calculated Property
Cp,gas	764.98	J/mol×K	877.89	Joback Calculated Property
Cp,gas	777.45	J/mol×K	913.27	Joback Calculated Property
Cp,gas	788.81	J/mol×K	948.65	Joback Calculated Property
Cp,gas	799.06	J/mol×K	984.02	Joback Calculated Property
Cp,gas	808.22	J/mol×K	1019.40	Joback Calculated Property

Similar Compounds

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

Sources

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

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