Chemical Properties of Glutaric acid, hex-4-yn-3-yl 2-isopropoxyphenyl ester

InChI

InChI=1S/C20H26O5/c1-5-10-16(6-2)24-19(21)13-9-14-20(22)25-18-12-8-7-11-17(18)23-15(3)4/h7-8,11-12,15-16H,6,9,13-14H2,1-4H3

InChI Key

HHSHFXAVSHGRAF-UHFFFAOYSA-N

Formula

C20H26O5

SMILES

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

Molecular Weight¹

346.42

• 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°	-154.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-591.15	kJ/mol	Joback Calculated Property
ΔfusH°	44.05	kJ/mol	Joback Calculated Property
ΔvapH°	85.15	kJ/mol	Joback Calculated Property
log10WS	-5.39		Crippen Calculated Property
logPoct/wat	3.895		Crippen Calculated Property
McVol	281.050	ml/mol	McGowan Calculated Property
Pc	1512.85	kPa	Joback Calculated Property
Inp	[2375.00; 2375.00]
Inp	2375.00		NIST
Inp	2375.00		NIST
Tboil	871.78	K	Joback Calculated Property
Tc	1088.43	K	Joback Calculated Property
Tfus	596.75	K	Joback Calculated Property
Vc	1.063	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[855.49; 926.22]	J/mol×K	[871.78; 1088.43]
Cp,gas	855.49	J/mol×K	871.78	Joback Calculated Property
Cp,gas	870.58	J/mol×K	907.89	Joback Calculated Property
Cp,gas	884.35	J/mol×K	944.00	Joback Calculated Property
Cp,gas	896.78	J/mol×K	980.10	Joback Calculated Property
Cp,gas	907.90	J/mol×K	1016.21	Joback Calculated Property
Cp,gas	917.72	J/mol×K	1052.32	Joback Calculated Property
Cp,gas	926.22	J/mol×K	1088.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, hex-4-yn-3-yl 2-isopropoxyphenyl ester.

Sources

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

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