Chemical Properties of Glutaric acid, tridec-2-yn-1-yl 3-octyl ester

InChI

InChI=1S/C26H46O4/c1-4-7-9-10-11-12-13-14-15-16-18-23-29-25(27)21-19-22-26(28)30-24(6-3)20-17-8-5-2/h24H,4-15,17,19-23H2,1-3H3

InChI Key

ZGRGYLSBHFIIFL-UHFFFAOYSA-N

Formula

C26H46O4

SMILES

CCCCCCCCCCC#CCOC(=O)CCCC(=O)OC(CC)CCCCC

Molecular Weight¹

422.64

• 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°	-99.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-802.55	kJ/mol	Joback Calculated Property
ΔfusH°	68.27	kJ/mol	Joback Calculated Property
ΔvapH°	93.55	kJ/mol	Joback Calculated Property
log10WS	-8.34		Crippen Calculated Property
logPoct/wat	7.136		Crippen Calculated Property
McVol	383.480	ml/mol	McGowan Calculated Property
Pc	838.21	kPa	Joback Calculated Property
Inp	[2821.00; 2821.00]
Inp	2821.00		NIST
Inp	2821.00		NIST
Tboil	955.42	K	Joback Calculated Property
Tc	1170.99	K	Joback Calculated Property
Tfus	618.20	K	Joback Calculated Property
Vc	1.496	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1291.21; 1385.70]	J/mol×K	[955.42; 1170.99]
Cp,gas	1291.21	J/mol×K	955.42	Joback Calculated Property
Cp,gas	1310.69	J/mol×K	991.35	Joback Calculated Property
Cp,gas	1328.62	J/mol×K	1027.28	Joback Calculated Property
Cp,gas	1345.05	J/mol×K	1063.21	Joback Calculated Property
Cp,gas	1360.01	J/mol×K	1099.13	Joback Calculated Property
Cp,gas	1373.54	J/mol×K	1135.06	Joback Calculated Property
Cp,gas	1385.70	J/mol×K	1170.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, tridec-2-yn-1-yl 3-octyl 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.