Chemical Properties of Glutaric acid, hex-4-yn-3-yl 4-acetylphenyl ester

InChI

InChI=1S/C19H22O5/c1-4-7-16(5-2)23-18(21)8-6-9-19(22)24-17-12-10-15(11-13-17)14(3)20/h10-13,16H,5-6,8-9H2,1-3H3

InChI Key

GTJOMMMYQCQVKR-UHFFFAOYSA-N

Formula

C19H22O5

SMILES

CC#CC(CC)OC(=O)CCCC(=O)Oc1ccc(C(C)=O)cc1

Molecular Weight¹

330.38

• 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	0.8251		Relay (1.0) Calculated Property
ΔfG°	-184.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-672.87	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.39	kJ/mol	Joback Calculated Property
ΔvapH°	98.65	kJ/mol	Relay (1.0) Calculated Property
IE	8.68	eV	Relay (1.0) Calculated Property
log10WS	-3.87		Relay (1.0) Calculated Property
logPoct/wat	3.310		Crippen Calculated Property
McVol	262.660	ml/mol	McGowan Calculated Property
Pc	1731.78	kPa	Joback Calculated Property
Inp	[2555.00; 2555.00]
Inp	2555.00		NIST
Inp	2555.00		NIST
Tboil	638.32	K	Relay (1.0) Calculated Property
Tc	861.83	K	Relay (1.0) Calculated Property
Tfus	353.14	K	Relay (1.0) Calculated Property
Vc	0.930	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[782.51; 845.15]	J/mol×K	[880.79; 1103.02]
Cp,gas	782.51	J/mol×K	880.79	Joback Calculated Property
Cp,gas	795.97	J/mol×K	917.83	Joback Calculated Property
Cp,gas	808.20	J/mol×K	954.87	Joback Calculated Property
Cp,gas	819.22	J/mol×K	991.90	Joback Calculated Property
Cp,gas	829.03	J/mol×K	1028.94	Joback Calculated Property
Cp,gas	837.67	J/mol×K	1065.98	Joback Calculated Property
Cp,gas	845.15	J/mol×K	1103.02	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, hex-4-yn-3-yl 4-acetylphenyl ester.

Sources

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

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