Chemical Properties of Glutaric acid, 2-ethylhexyl dodec-9-yn-1-yl ester

InChI

InChI=1S/C25H44O4/c1-4-7-9-10-11-12-13-14-15-16-21-28-24(26)19-17-20-25(27)29-22-23(6-3)18-8-5-2/h23H,4-6,8,10-22H2,1-3H3

InChI Key

NBAYOKJFZHLSLM-UHFFFAOYSA-N

Formula

C25H44O4

SMILES

CCC#CCCCCCCCCOC(=O)CCCC(=O)OCC(CC)CCCC

Molecular Weight¹

408.61

• 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°	-107.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-781.91	kJ/mol	Joback Calculated Property
ΔfusH°	65.68	kJ/mol	Joback Calculated Property
ΔvapH°	91.32	kJ/mol	Joback Calculated Property
log10WS	-7.57		Crippen Calculated Property
logPoct/wat	6.604		Crippen Calculated Property
McVol	369.390	ml/mol	McGowan Calculated Property
Pc	886.83	kPa	Joback Calculated Property
Inp	[2824.00; 2824.00]
Inp	2824.00		NIST
Inp	2824.00		NIST
Tboil	932.54	K	Joback Calculated Property
Tc	1141.86	K	Joback Calculated Property
Tfus	606.93	K	Joback Calculated Property
Vc	1.440	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1227.96; 1321.59]	J/mol×K	[932.54; 1141.86]
Cp,gas	1227.96	J/mol×K	932.54	Joback Calculated Property
Cp,gas	1247.04	J/mol×K	967.43	Joback Calculated Property
Cp,gas	1264.68	J/mol×K	1002.31	Joback Calculated Property
Cp,gas	1280.93	J/mol×K	1037.20	Joback Calculated Property
Cp,gas	1295.80	J/mol×K	1072.09	Joback Calculated Property
Cp,gas	1309.35	J/mol×K	1106.98	Joback Calculated Property
Cp,gas	1321.59	J/mol×K	1141.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-ethylhexyl dodec-9-yn-1-yl ester.

Sources

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

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