Chemical Properties of Glutaric acid, 1-cyclopentylethyl hex-4-yn-3-yl ester

InChI

InChI=1S/C18H28O4/c1-4-9-16(5-2)22-18(20)13-8-12-17(19)21-14(3)15-10-6-7-11-15/h14-16H,5-8,10-13H2,1-3H3

InChI Key

QJLKWHRFYSOUML-UHFFFAOYSA-N

Formula

C18H28O4

SMILES

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

Molecular Weight¹

308.41

• 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	0.6862		Relay (... Calculated Property
ΔfG°	-132.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-749.04	kJ/mol	Relay (... Calculated Property
ΔfusH°	37.96	kJ/mol	Joback Calculated Property
ΔvapH°	88.84	kJ/mol	Relay (... Calculated Property
IE	9.05	eV	Relay (... Calculated Property
log10WS	-3.82		Relay (... Calculated Property
logPoct/wat	3.624		Crippen Calculated Property
McVol	259.900	ml/mol	McGowan Calculated Property
Pc	1602.56	kPa	Joback Calculated Property
Inp	[2078.00; 2078.00]
Inp	2078.00		NIST
Inp	2078.00		NIST
Tboil	597.32	K	Relay (... Calculated Property
Tc	802.31	K	Relay (... Calculated Property
Tfus	294.79	K	Relay (... Calculated Property
Vc	0.921	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[794.72; 885.41]	J/mol×K	[787.22; 997.43]
Cp,gas	794.72	J/mol×K	787.22	Joback Calculated Property
Cp,gas	812.88	J/mol×K	822.25	Joback Calculated Property
Cp,gas	829.79	J/mol×K	857.29	Joback Calculated Property
Cp,gas	845.47	J/mol×K	892.32	Joback Calculated Property
Cp,gas	859.95	J/mol×K	927.36	Joback Calculated Property
Cp,gas	873.26	J/mol×K	962.39	Joback Calculated Property
Cp,gas	885.41	J/mol×K	997.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1-cyclopentylethyl hex-4-yn-3-yl ester.

Sources

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

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