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

InChI

InChI=1S/C29H52O4/c1-4-7-9-11-12-13-14-15-16-17-18-19-21-26-32-28(30)24-22-25-29(31)33-27(6-3)23-20-10-8-5-2/h27H,4-9,11-19,21-26H2,1-3H3

InChI Key

QSFGRWNTBAWJGR-UHFFFAOYSA-N

Formula

C29H52O4

SMILES

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

Molecular Weight¹

464.72

• 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	1.2004		Relay (1.0) Calculated Property
ΔfG°	-74.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-995.69	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	76.04	kJ/mol	Joback Calculated Property
ΔvapH°	128.03	kJ/mol	Relay (1.0) Calculated Property
IE	9.27	eV	Relay (1.0) Calculated Property
log10WS	-7.36		Relay (1.0) Calculated Property
logPoct/wat	8.306		Crippen Calculated Property
McVol	425.750	ml/mol	McGowan Calculated Property
Pc	714.15	kPa	Joback Calculated Property
Inp	[3232.00; 3232.00]
Inp	3232.00		NIST
Inp	3232.00		NIST
Tboil	669.08	K	Relay (1.0) Calculated Property
Tc	857.91	K	Relay (1.0) Calculated Property
Tfus	298.47	K	Relay (1.0) Calculated Property
Vc	1.592	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1483.40; 1580.29]	J/mol×K	[1024.06; 1265.38]
Cp,gas	1483.40	J/mol×K	1024.06	Joback Calculated Property
Cp,gas	1504.29	J/mol×K	1064.28	Joback Calculated Property
Cp,gas	1523.18	J/mol×K	1104.50	Joback Calculated Property
Cp,gas	1540.16	J/mol×K	1144.72	Joback Calculated Property
Cp,gas	1555.29	J/mol×K	1184.94	Joback Calculated Property
Cp,gas	1568.64	J/mol×K	1225.16	Joback Calculated Property
Cp,gas	1580.29	J/mol×K	1265.38	Joback Calculated Property

Similar Compounds

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

Sources

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

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