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

InChI

InChI=1S/C30H52O4/c1-6-8-9-10-11-12-13-14-15-16-17-18-25-33-29(31)21-19-22-30(32)34-28(24-23-26(3)4)27(5)20-7-2/h27-28H,3,6-22,25H2,1-2,4-5H3

InChI Key

NRFILSBXZJOGDV-UHFFFAOYSA-N

Formula

C30H52O4

SMILES

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

Molecular Weight¹

476.73

• 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°	11.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-774.75	kJ/mol	Joback Calculated Property
ΔfusH°	72.52	kJ/mol	Joback Calculated Property
ΔvapH°	101.47	kJ/mol	Joback Calculated Property
log10WS	-9.62		Crippen Calculated Property
logPoct/wat	8.329		Crippen Calculated Property
McVol	435.540	ml/mol	McGowan Calculated Property
Pc	698.76	kPa	Joback Calculated Property
Inp	[3154.00; 3154.00]
Inp	3154.00		NIST
Inp	3154.00		NIST
Tboil	1043.06	K	Joback Calculated Property
Tc	1287.99	K	Joback Calculated Property
Tfus	632.56	K	Joback Calculated Property
Vc	1.696	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1517.19; 1612.96]	J/mol×K	[1043.06; 1287.99]
Cp,gas	1517.19	J/mol×K	1043.06	Joback Calculated Property
Cp,gas	1537.76	J/mol×K	1083.88	Joback Calculated Property
Cp,gas	1556.37	J/mol×K	1124.70	Joback Calculated Property
Cp,gas	1573.11	J/mol×K	1165.53	Joback Calculated Property
Cp,gas	1588.06	J/mol×K	1206.35	Joback Calculated Property
Cp,gas	1601.32	J/mol×K	1247.17	Joback Calculated Property
Cp,gas	1612.96	J/mol×K	1287.99	Joback Calculated Property

Similar Compounds

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

Sources

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

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