Chemical Properties of Glutaric acid, hex-4-yn-3-yl (2-naphthyl)methyl ester

InChI

InChI=1S/C22H24O4/c1-3-8-20(4-2)26-22(24)12-7-11-21(23)25-16-17-13-14-18-9-5-6-10-19(18)15-17/h5-6,9-10,13-15,20H,4,7,11-12,16H2,1-2H3

InChI Key

TZEMLAQECHQFNH-UHFFFAOYSA-N

Formula

C22H24O4

SMILES

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

Molecular Weight¹

352.42

• 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°	76.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-303.86	kJ/mol	Joback Calculated Property
ΔfusH°	48.58	kJ/mol	Joback Calculated Property
ΔvapH°	89.22	kJ/mol	Joback Calculated Property
log10WS	-6.39		Crippen Calculated Property
logPoct/wat	4.398		Crippen Calculated Property
McVol	283.900	ml/mol	McGowan Calculated Property
Pc	1588.54	kPa	Joback Calculated Property
Inp	[2829.00; 2829.00]
Inp	2829.00		NIST
Inp	2829.00		NIST
Tboil	914.54	K	Joback Calculated Property
Tc	1143.12	K	Joback Calculated Property
Tfus	644.76	K	Joback Calculated Property
Vc	1.085	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[865.91; 935.59]	J/mol×K	[914.54; 1143.12]
Cp,gas	865.91	J/mol×K	914.54	Joback Calculated Property
Cp,gas	880.24	J/mol×K	952.64	Joback Calculated Property
Cp,gas	893.40	J/mol×K	990.73	Joback Calculated Property
Cp,gas	905.46	J/mol×K	1028.83	Joback Calculated Property
Cp,gas	916.47	J/mol×K	1066.93	Joback Calculated Property
Cp,gas	926.49	J/mol×K	1105.03	Joback Calculated Property
Cp,gas	935.59	J/mol×K	1143.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, hex-4-yn-3-yl (2-naphthyl)methyl ester.

Sources

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

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