Chemical Properties of Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl tridecyl ester

InChI

InChI=1S/C29H50O4/c1-6-8-9-10-11-12-13-14-15-16-17-24-32-28(30)20-18-21-29(31)33-27(23-22-25(3)4)26(5)19-7-2/h26-27H,3,6-21,24H2,1-2,4-5H3

InChI Key

TXUIWIATKCDJOY-UHFFFAOYSA-N

Formula

C29H50O4

SMILES

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

Molecular Weight¹

462.70

• 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°	2.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-754.11	kJ/mol	Joback Calculated Property
ΔfusH°	69.93	kJ/mol	Joback Calculated Property
ΔvapH°	99.25	kJ/mol	Joback Calculated Property
log10WS	-9.21		Crippen Calculated Property
logPoct/wat	7.938		Crippen Calculated Property
McVol	421.450	ml/mol	McGowan Calculated Property
Pc	735.62	kPa	Joback Calculated Property
Inp	[3051.00; 3051.00]
Inp	3051.00		NIST
Inp	3051.00		NIST
Tboil	1020.18	K	Joback Calculated Property
Tc	1255.40	K	Joback Calculated Property
Tfus	621.29	K	Joback Calculated Property
Vc	1.639	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1452.74; 1547.63]	J/mol×K	[1020.18; 1255.40]
Cp,gas	1452.74	J/mol×K	1020.18	Joback Calculated Property
Cp,gas	1472.83	J/mol×K	1059.38	Joback Calculated Property
Cp,gas	1491.10	J/mol×K	1098.59	Joback Calculated Property
Cp,gas	1507.65	J/mol×K	1137.79	Joback Calculated Property
Cp,gas	1522.54	J/mol×K	1176.99	Joback Calculated Property
Cp,gas	1535.84	J/mol×K	1216.20	Joback Calculated Property
Cp,gas	1547.63	J/mol×K	1255.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl tridecyl ester.

Sources

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

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