Chemical Properties of Glutaric acid, hexyl non-5-yn-3-yl ester

InChI

InChI=1S/C20H34O4/c1-4-7-9-11-14-18(6-3)24-20(22)16-13-15-19(21)23-17-12-10-8-5-2/h18H,4-8,10,12-17H2,1-3H3

InChI Key

OMIRELRNVNEEGQ-UHFFFAOYSA-N

Formula

C20H34O4

SMILES

CCCC#CCC(CC)OC(=O)CCCC(=O)OCCCCCC

Molecular Weight¹

338.48

• 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°	-149.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-678.71	kJ/mol	Joback Calculated Property
ΔfusH°	52.73	kJ/mol	Joback Calculated Property
ΔvapH°	80.19	kJ/mol	Joback Calculated Property
log10WS	-5.83		Crippen Calculated Property
logPoct/wat	4.796		Crippen Calculated Property
McVol	298.940	ml/mol	McGowan Calculated Property
Pc	1207.31	kPa	Joback Calculated Property
Inp	[2311.00; 2311.00]
Inp	2311.00		NIST
Inp	2311.00		NIST
Tboil	818.14	K	Joback Calculated Property
Tc	1010.24	K	Joback Calculated Property
Tfus	550.58	K	Joback Calculated Property
Vc	1.159	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[920.30; 1009.43]	J/mol×K	[818.14; 1010.24]
Cp,gas	920.30	J/mol×K	818.14	Joback Calculated Property
Cp,gas	937.76	J/mol×K	850.16	Joback Calculated Property
Cp,gas	954.15	J/mol×K	882.17	Joback Calculated Property
Cp,gas	969.50	J/mol×K	914.19	Joback Calculated Property
Cp,gas	983.82	J/mol×K	946.20	Joback Calculated Property
Cp,gas	997.13	J/mol×K	978.22	Joback Calculated Property
Cp,gas	1009.43	J/mol×K	1010.24	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, hexyl non-5-yn-3-yl ester.

Sources

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

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