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

InChI

InChI=1S/C28H50O4/c1-4-6-8-10-12-13-14-15-16-18-20-25-31-27(29)23-21-24-28(30)32-26(3)22-19-17-11-9-7-5-2/h26H,4-17,19,21-25H2,1-3H3

InChI Key

LOAKIXLMCXHBAP-UHFFFAOYSA-N

Formula

C28H50O4

SMILES

CCCCCCCCCCC#CCOC(=O)CCCC(=O)OC(C)CCCCCCCC

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°	-82.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-843.83	kJ/mol	Joback Calculated Property
ΔfusH°	73.45	kJ/mol	Joback Calculated Property
ΔvapH°	98.00	kJ/mol	Joback Calculated Property
log10WS	-9.17		Crippen Calculated Property
logPoct/wat	7.916		Crippen Calculated Property
McVol	411.660	ml/mol	McGowan Calculated Property
Pc	752.26	kPa	Joback Calculated Property
Inp	[3040.00; 3040.00]
Inp	3040.00		NIST
Inp	3040.00		NIST
Tboil	1001.18	K	Joback Calculated Property
Tc	1232.66	K	Joback Calculated Property
Tfus	640.74	K	Joback Calculated Property
Vc	1.607	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1418.98; 1515.12]	J/mol×K	[1001.18; 1232.66]
Cp,gas	1418.98	J/mol×K	1001.18	Joback Calculated Property
Cp,gas	1439.36	J/mol×K	1039.76	Joback Calculated Property
Cp,gas	1457.92	J/mol×K	1078.34	Joback Calculated Property
Cp,gas	1474.71	J/mol×K	1116.92	Joback Calculated Property
Cp,gas	1489.80	J/mol×K	1155.50	Joback Calculated Property
Cp,gas	1503.25	J/mol×K	1194.08	Joback Calculated Property
Cp,gas	1515.12	J/mol×K	1232.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, tridec-2-yn-1-yl 2-decyl ester.

Sources

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

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