Chemical Properties of Glutaric acid, tridec-2-yn-1-yl 3-methyl-5-methoxypentyl ester

InChI

InChI=1S/C25H44O5/c1-4-5-6-7-8-9-10-11-12-13-14-20-29-24(26)16-15-17-25(27)30-22-19-23(2)18-21-28-3/h23H,4-12,15-22H2,1-3H3

InChI Key

MDPWLCBWQPESDE-UHFFFAOYSA-N

Formula

C25H44O5

SMILES

CCCCCCCCCCC#CCOC(=O)CCCC(=O)OCCC(C)CCOC

Molecular Weight¹

424.61

• 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°	-212.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-914.13	kJ/mol	Joback Calculated Property
ΔfusH°	66.87	kJ/mol	Joback Calculated Property
ΔvapH°	93.73	kJ/mol	Joback Calculated Property
log10WS	-6.65		Crippen Calculated Property
logPoct/wat	5.840		Crippen Calculated Property
McVol	375.260	ml/mol	McGowan Calculated Property
Pc	877.91	kPa	Joback Calculated Property
Inp	[2929.00; 2929.00]
Inp	2929.00		NIST
Inp	2929.00		NIST
Tboil	954.96	K	Joback Calculated Property
Tc	1170.25	K	Joback Calculated Property
Tfus	629.16	K	Joback Calculated Property
Vc	1.458	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1259.04; 1346.36]	J/mol×K	[954.96; 1170.25]
Cp,gas	1259.04	J/mol×K	954.96	Joback Calculated Property
Cp,gas	1277.59	J/mol×K	990.84	Joback Calculated Property
Cp,gas	1294.50	J/mol×K	1026.72	Joback Calculated Property
Cp,gas	1309.82	J/mol×K	1062.61	Joback Calculated Property
Cp,gas	1323.55	J/mol×K	1098.49	Joback Calculated Property
Cp,gas	1335.72	J/mol×K	1134.37	Joback Calculated Property
Cp,gas	1346.36	J/mol×K	1170.25	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, tridec-2-yn-1-yl 3-methyl-5-methoxypentyl ester.

Sources

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

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