Chemical Properties of Glutaric acid, octadecyl non-5-yn-3-yl ester

InChI

InChI=1S/C32H58O4/c1-4-7-9-11-12-13-14-15-16-17-18-19-20-21-22-24-29-35-31(33)27-25-28-32(34)36-30(6-3)26-23-10-8-5-2/h30H,4-9,11-22,24-29H2,1-3H3

InChI Key

MHMQADCCAYHXNJ-UHFFFAOYSA-N

Formula

C32H58O4

SMILES

CCCC#CCC(CC)OC(=O)CCCC(=O)OCCCCCCCCCCCCCCCCCC

Molecular Weight¹

506.80

• 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°	-48.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-926.39	kJ/mol	Joback Calculated Property
ΔfusH°	83.81	kJ/mol	Joback Calculated Property
ΔvapH°	106.90	kJ/mol	Joback Calculated Property
log10WS	-10.85		Crippen Calculated Property
logPoct/wat	9.477		Crippen Calculated Property
McVol	468.020	ml/mol	McGowan Calculated Property
Pc	615.73	kPa	Joback Calculated Property
Inp	[3560.00; 3560.00]
Inp	3560.00		NIST
Inp	3560.00		NIST
Tboil	1092.70	K	Joback Calculated Property
Tc	1372.32	K	Joback Calculated Property
Tfus	685.82	K	Joback Calculated Property
Vc	1.831	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1678.25; 1776.82]	J/mol×K	[1092.70; 1372.32]
Cp,gas	1678.25	J/mol×K	1092.70	Joback Calculated Property
Cp,gas	1700.92	J/mol×K	1139.30	Joback Calculated Property
Cp,gas	1720.91	J/mol×K	1185.91	Joback Calculated Property
Cp,gas	1738.36	J/mol×K	1232.51	Joback Calculated Property
Cp,gas	1753.41	J/mol×K	1279.11	Joback Calculated Property
Cp,gas	1766.18	J/mol×K	1325.72	Joback Calculated Property
Cp,gas	1776.82	J/mol×K	1372.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, octadecyl non-5-yn-3-yl ester.

Sources

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

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