Chemical Properties of Glutaric acid, 1-cyclopentylethyl but-3-yn-2-yl ester

InChI

InChI=1S/C16H24O4/c1-4-12(2)19-15(17)10-7-11-16(18)20-13(3)14-8-5-6-9-14/h1,12-14H,5-11H2,2-3H3

InChI Key

COZUVVUHCZMCLF-UHFFFAOYSA-N

Formula

C16H24O4

SMILES

C#CC(C)OC(=O)CCCC(=O)OC(C)C1CCCC1

Molecular Weight¹

280.36

• 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	0.6382		Relay (1.0) Calculated Property
ΔfG°	-129.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-721.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.63	kJ/mol	Joback Calculated Property
ΔvapH°	84.96	kJ/mol	Relay (1.0) Calculated Property
IE	9.52	eV	Relay (1.0) Calculated Property
log10WS	-3.29		Relay (1.0) Calculated Property
logPoct/wat	2.843		Crippen Calculated Property
McVol	231.720	ml/mol	McGowan Calculated Property
Pc	1861.11	kPa	Joback Calculated Property
Inp	[1840.00; 1840.00]
Inp	1840.00		NIST
Inp	1840.00		NIST
Tboil	582.46	K	Relay (1.0) Calculated Property
Tc	777.22	K	Relay (1.0) Calculated Property
Tfus	306.34	K	Relay (1.0) Calculated Property
Vc	0.819	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[675.71; 764.58]	J/mol×K	[722.58; 929.38]
Cp,gas	675.71	J/mol×K	722.58	Joback Calculated Property
Cp,gas	693.23	J/mol×K	757.05	Joback Calculated Property
Cp,gas	709.63	J/mol×K	791.51	Joback Calculated Property
Cp,gas	724.94	J/mol×K	825.98	Joback Calculated Property
Cp,gas	739.18	J/mol×K	860.45	Joback Calculated Property
Cp,gas	752.39	J/mol×K	894.92	Joback Calculated Property
Cp,gas	764.58	J/mol×K	929.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1-cyclopentylethyl but-3-yn-2-yl ester.

Sources

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

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