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

InChI

InChI=1S/C30H54O4/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-25-33-29(31)23-21-24-30(32)34-28(22-8-6-2)26-27(3)4/h27-28H,5-7,9-21,23-26H2,1-4H3

InChI Key

LRNSQMUZMFZLEF-UHFFFAOYSA-N

Formula

C30H54O4

SMILES

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

Molecular Weight¹

478.75

• 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°	-68.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-890.39	kJ/mol	Joback Calculated Property
ΔfusH°	75.11	kJ/mol	Joback Calculated Property
ΔvapH°	102.06	kJ/mol	Joback Calculated Property
log10WS	-9.77		Crippen Calculated Property
logPoct/wat	8.553		Crippen Calculated Property
McVol	439.840	ml/mol	McGowan Calculated Property
Pc	681.71	kPa	Joback Calculated Property
Inp	[3836.00; 3836.00]
Inp	3836.00		NIST
Inp	3836.00		NIST
Tboil	1046.50	K	Joback Calculated Property
Tc	1296.55	K	Joback Calculated Property
Tfus	648.28	K	Joback Calculated Property
Vc	1.714	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1548.31; 1644.47]	J/mol×K	[1046.50; 1296.55]
Cp,gas	1548.31	J/mol×K	1046.50	Joback Calculated Property
Cp,gas	1569.46	J/mol×K	1088.17	Joback Calculated Property
Cp,gas	1588.45	J/mol×K	1129.85	Joback Calculated Property
Cp,gas	1605.36	J/mol×K	1171.52	Joback Calculated Property
Cp,gas	1620.27	J/mol×K	1213.20	Joback Calculated Property
Cp,gas	1633.28	J/mol×K	1254.87	Joback Calculated Property
Cp,gas	1644.47	J/mol×K	1296.55	Joback Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.