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

InChI

InChI=1S/C18H22O4/c1-5-14(4)21-17(19)11-8-12-18(20)22-16-10-7-6-9-15(16)13(2)3/h1,6-7,9-10,13-14H,8,11-12H2,2-4H3

InChI Key

XZTGKVSFFUYXNO-UHFFFAOYSA-N

Formula

C18H22O4

SMILES

C#CC(C)OC(=O)CCCC(=O)Oc1ccccc1C(C)C

Molecular Weight¹

302.36

• 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°	-46.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-398.05	kJ/mol	Joback Calculated Property
ΔfusH°	37.53	kJ/mol	Joback Calculated Property
ΔvapH°	75.99	kJ/mol	Joback Calculated Property
log10WS	-4.67		Crippen Calculated Property
logPoct/wat	3.451		Crippen Calculated Property
McVol	247.000	ml/mol	McGowan Calculated Property
Pc	1774.35	kPa	Joback Calculated Property
Inp	[2049.00; 2049.00]
Inp	2049.00		NIST
Inp	2049.00		NIST
Tboil	784.72	K	Joback Calculated Property
Tc	998.14	K	Joback Calculated Property
Tfus	492.85	K	Joback Calculated Property
Vc	0.933	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[708.93; 784.34]	J/mol×K	[784.72; 998.14]
Cp,gas	708.93	J/mol×K	784.72	Joback Calculated Property
Cp,gas	724.15	J/mol×K	820.29	Joback Calculated Property
Cp,gas	738.28	J/mol×K	855.86	Joback Calculated Property
Cp,gas	751.33	J/mol×K	891.43	Joback Calculated Property
Cp,gas	763.35	J/mol×K	927.00	Joback Calculated Property
Cp,gas	774.34	J/mol×K	962.57	Joback Calculated Property
Cp,gas	784.34	J/mol×K	998.14	Joback Calculated Property

Similar Compounds

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

Sources

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

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