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

InChI

InChI=1S/C28H50O4/c1-5-7-9-10-11-12-13-14-15-16-17-18-23-31-27(29)21-19-22-28(30)32-26(20-8-6-2)24-25(3)4/h25-26H,5-7,9-19,21-24H2,1-4H3

InChI Key

GBRVGHAUAYASKB-UHFFFAOYSA-N

Formula

C28H50O4

SMILES

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

Molecular Weight¹

450.69

• 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°	-85.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-849.11	kJ/mol	Joback Calculated Property
ΔfusH°	69.93	kJ/mol	Joback Calculated Property
ΔvapH°	97.61	kJ/mol	Joback Calculated Property
log10WS	-8.93		Crippen Calculated Property
logPoct/wat	7.772		Crippen Calculated Property
McVol	411.660	ml/mol	McGowan Calculated Property
Pc	755.57	kPa	Joback Calculated Property
Inp	[3722.00; 3722.00]
Inp	3722.00		NIST
Inp	3722.00		NIST
Tboil	1000.74	K	Joback Calculated Property
Tc	1230.70	K	Joback Calculated Property
Tfus	625.74	K	Joback Calculated Property
Vc	1.601	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1419.28; 1514.38]	J/mol×K	[1000.74; 1230.70]
Cp,gas	1419.28	J/mol×K	1000.74	Joback Calculated Property
Cp,gas	1439.46	J/mol×K	1039.07	Joback Calculated Property
Cp,gas	1457.84	J/mol×K	1077.39	Joback Calculated Property
Cp,gas	1474.46	J/mol×K	1115.72	Joback Calculated Property
Cp,gas	1489.39	J/mol×K	1154.05	Joback Calculated Property
Cp,gas	1502.67	J/mol×K	1192.37	Joback Calculated Property
Cp,gas	1514.38	J/mol×K	1230.70	Joback Calculated Property

Similar Compounds

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

Sources

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

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