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

InChI

InChI=1S/C25H44O4/c1-5-7-9-10-11-12-13-14-15-20-28-24(26)18-16-19-25(27)29-23(17-8-6-2)21-22(3)4/h22-23H,5-7,9-16,18-21H2,1-4H3

InChI Key

OGACGLKZJGKJGV-UHFFFAOYSA-N

Formula

C25H44O4

SMILES

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

Molecular Weight¹

408.61

• 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	1.0213		Relay (1.0) Calculated Property
ΔfG°	-110.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-905.07	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	62.16	kJ/mol	Joback Calculated Property
ΔvapH°	108.97	kJ/mol	Relay (1.0) Calculated Property
IE	9.21	eV	Relay (1.0) Calculated Property
log10WS	-6.31		Relay (1.0) Calculated Property
logPoct/wat	6.602		Crippen Calculated Property
McVol	369.390	ml/mol	McGowan Calculated Property
Pc	891.07	kPa	Joback Calculated Property
Inp	[3607.00; 3607.00]
Inp	3607.00		NIST
Inp	3607.00		NIST
Tboil	634.27	K	Relay (1.0) Calculated Property
Tc	819.95	K	Relay (1.0) Calculated Property
Tfus	279.57	K	Relay (1.0) Calculated Property
Vc	1.365	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1228.36; 1321.53]	J/mol×K	[932.10; 1141.17]
Cp,gas	1228.36	J/mol×K	932.10	Joback Calculated Property
Cp,gas	1247.39	J/mol×K	966.95	Joback Calculated Property
Cp,gas	1264.96	J/mol×K	1001.79	Joback Calculated Property
Cp,gas	1281.13	J/mol×K	1036.64	Joback Calculated Property
Cp,gas	1295.93	J/mol×K	1071.48	Joback Calculated Property
Cp,gas	1309.38	J/mol×K	1106.33	Joback Calculated Property
Cp,gas	1321.53	J/mol×K	1141.17	Joback Calculated Property

Similar Compounds

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

Sources

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

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