Chemical Properties of Glutaric acid, 2-methyloct-5-yn-4-yl tridecyl ester

InChI

InChI=1S/C27H48O4/c1-5-7-9-10-11-12-13-14-15-16-17-22-30-26(28)20-18-21-27(29)31-25(19-8-6-2)23-24(3)4/h24-25H,5-7,9-18,20-23H2,1-4H3

InChI Key

AICDJIZHJMBBHJ-UHFFFAOYSA-N

Formula

C27H48O4

SMILES

CCC#CC(CC(C)C)OC(=O)CCCC(=O)OCCCCCCCCCCCCC

Molecular Weight¹

436.67

• 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	1.0919		Relay (1.0) Calculated Property
ΔfG°	-93.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-946.99	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	67.34	kJ/mol	Joback Calculated Property
ΔvapH°	116.68	kJ/mol	Relay (1.0) Calculated Property
IE	9.28	eV	Relay (1.0) Calculated Property
log10WS	-6.93		Relay (1.0) Calculated Property
logPoct/wat	7.382		Crippen Calculated Property
McVol	397.570	ml/mol	McGowan Calculated Property
Pc	797.08	kPa	Joback Calculated Property
Inp	[3678.00; 3678.00]
Inp	3678.00		NIST
Inp	3678.00		NIST
Tboil	648.32	K	Relay (1.0) Calculated Property
Tc	834.94	K	Relay (1.0) Calculated Property
Tfus	288.20	K	Relay (1.0) Calculated Property
Vc	1.474	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1355.24; 1449.72]	J/mol×K	[977.86; 1199.72]
Cp,gas	1355.24	J/mol×K	977.86	Joback Calculated Property
Cp,gas	1375.00	J/mol×K	1014.84	Joback Calculated Property
Cp,gas	1393.10	J/mol×K	1051.81	Joback Calculated Property
Cp,gas	1409.57	J/mol×K	1088.79	Joback Calculated Property
Cp,gas	1424.46	J/mol×K	1125.76	Joback Calculated Property
Cp,gas	1437.83	J/mol×K	1162.74	Joback Calculated Property
Cp,gas	1449.72	J/mol×K	1199.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-methyloct-5-yn-4-yl tridecyl ester.

Sources

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

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