Chemical Properties of Glutaric acid, but-3-yn-2-yl (2-naphthyl)methyl ester

InChI

InChI=1S/C20H20O4/c1-3-15(2)24-20(22)10-6-9-19(21)23-14-16-11-12-17-7-4-5-8-18(17)13-16/h1,4-5,7-8,11-13,15H,6,9-10,14H2,2H3

InChI Key

PHAOINMHXNPYQP-UHFFFAOYSA-N

Formula

C20H20O4

SMILES

C#CC(C)OC(=O)CCCC(=O)OCc1ccc2ccccc2c1

Molecular Weight¹

324.37

• 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	0.7662		Relay (1.0) Calculated Property
ΔfG°	79.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-398.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.25	kJ/mol	Joback Calculated Property
ΔvapH°	109.67	kJ/mol	Relay (1.0) Calculated Property
IE	8.21	eV	Relay (1.0) Calculated Property
log10WS	-4.52		Relay (1.0) Calculated Property
logPoct/wat	3.618		Crippen Calculated Property
McVol	255.720	ml/mol	McGowan Calculated Property
Pc	1843.58	kPa	Joback Calculated Property
Inp	[2576.00; 2576.00]
Inp	2576.00		NIST
Inp	2576.00		NIST
Tboil	687.53	K	Relay (1.0) Calculated Property
Tc	910.82	K	Relay (1.0) Calculated Property
Tfus	347.61	K	Relay (1.0) Calculated Property
Vc	0.908	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[747.37; 815.87]	J/mol×K	[849.90; 1074.97]
Cp,gas	747.37	J/mol×K	849.90	Joback Calculated Property
Cp,gas	761.22	J/mol×K	887.41	Joback Calculated Property
Cp,gas	774.01	J/mol×K	924.92	Joback Calculated Property
Cp,gas	785.81	J/mol×K	962.43	Joback Calculated Property
Cp,gas	796.68	J/mol×K	999.95	Joback Calculated Property
Cp,gas	806.68	J/mol×K	1037.46	Joback Calculated Property
Cp,gas	815.87	J/mol×K	1074.97	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, but-3-yn-2-yl (2-naphthyl)methyl ester.

Sources

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

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