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

InChI

InChI=1S/C17H20O4/c1-5-13(3)20-16(18)10-7-11-17(19)21-15-9-6-8-12(2)14(15)4/h1,6,8-9,13H,7,10-11H2,2-4H3

InChI Key

ALKXMKZHFVMLJA-UHFFFAOYSA-N

Formula

C17H20O4

SMILES

C#CC(C)OC(=O)CCCC(=O)Oc1cccc(C)c1C

Molecular Weight¹

288.34

• 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°	-61.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-383.60	kJ/mol	Joback Calculated Property
ΔfusH°	38.07	kJ/mol	Joback Calculated Property
ΔvapH°	74.82	kJ/mol	Joback Calculated Property
log10WS	-4.44		Crippen Calculated Property
logPoct/wat	2.944		Crippen Calculated Property
McVol	232.910	ml/mol	McGowan Calculated Property
Pc	1888.72	kPa	Joback Calculated Property
Inp	[2084.00; 2084.00]
Inp	2084.00		NIST
Inp	2084.00		NIST
Tboil	767.26	K	Joback Calculated Property
Tc	980.56	K	Joback Calculated Property
Tfus	509.10	K	Joback Calculated Property
Vc	0.883	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[651.85; 724.74]	J/mol×K	[767.26; 980.56]
Cp,gas	651.85	J/mol×K	767.26	Joback Calculated Property
Cp,gas	666.48	J/mol×K	802.81	Joback Calculated Property
Cp,gas	680.09	J/mol×K	838.36	Joback Calculated Property
Cp,gas	692.71	J/mol×K	873.91	Joback Calculated Property
Cp,gas	704.35	J/mol×K	909.46	Joback Calculated Property
Cp,gas	715.02	J/mol×K	945.01	Joback Calculated Property
Cp,gas	724.74	J/mol×K	980.56	Joback Calculated Property

Similar Compounds

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

Sources

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

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