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

InChI

InChI=1S/C18H22O4/c1-4-9-15-10-6-7-11-16(15)22-18(20)13-8-12-17(19)21-14(3)5-2/h2,6-7,10-11,14H,4,8-9,12-13H2,1,3H3

InChI Key

JBVFNOVTKZJBOP-UHFFFAOYSA-N

Formula

C18H22O4

SMILES

C#CC(C)OC(=O)CCCC(=O)Oc1ccccc1CCC

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°	-43.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-392.77	kJ/mol	Joback Calculated Property
ΔfusH°	41.05	kJ/mol	Joback Calculated Property
ΔvapH°	76.38	kJ/mol	Joback Calculated Property
log10WS	-4.71		Crippen Calculated Property
logPoct/wat	3.280		Crippen Calculated Property
McVol	247.000	ml/mol	McGowan Calculated Property
Pc	1762.45	kPa	Joback Calculated Property
Inp	[2068.00; 2068.00]
Inp	2068.00		NIST
Inp	2068.00		NIST
Tboil	785.16	K	Joback Calculated Property
Tc	995.53	K	Joback Calculated Property
Tfus	507.85	K	Joback Calculated Property
Vc	0.940	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[708.37; 783.09]	J/mol×K	[785.16; 995.53]
Cp,gas	708.37	J/mol×K	785.16	Joback Calculated Property
Cp,gas	723.38	J/mol×K	820.22	Joback Calculated Property
Cp,gas	737.33	J/mol×K	855.28	Joback Calculated Property
Cp,gas	750.25	J/mol×K	890.35	Joback Calculated Property
Cp,gas	762.17	J/mol×K	925.41	Joback Calculated Property
Cp,gas	773.11	J/mol×K	960.47	Joback Calculated Property
Cp,gas	783.09	J/mol×K	995.53	Joback Calculated Property

Similar Compounds

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

Sources

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

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