Chemical Properties of Glutaric acid, tridec-2-yn-1-yl 2,6-dimethoxyphenyl ester

InChI

InChI=1S/C26H38O6/c1-4-5-6-7-8-9-10-11-12-13-14-21-31-24(27)19-16-20-25(28)32-26-22(29-2)17-15-18-23(26)30-3/h15,17-18H,4-12,16,19-21H2,1-3H3

InChI Key

VRPKZCCCNSXSGP-UHFFFAOYSA-N

Formula

C26H38O6

SMILES

CCCCCCCCCCC#CCOC(=O)CCCC(=O)Oc1c(OC)cccc1OC

Molecular Weight¹

446.58

• 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°	-213.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-848.12	kJ/mol	Joback Calculated Property
ΔfusH°	67.43	kJ/mol	Joback Calculated Property
ΔvapH°	102.35	kJ/mol	Joback Calculated Property
log10WS	-7.38		Crippen Calculated Property
logPoct/wat	5.857		Crippen Calculated Property
McVol	371.460	ml/mol	McGowan Calculated Property
Pc	979.62	kPa	Joback Calculated Property
Inp	[3278.00; 3278.00]
Inp	3278.00		NIST
Inp	3278.00		NIST
Tboil	1037.34	K	Joback Calculated Property
Tc	1270.63	K	Joback Calculated Property
Tfus	729.12	K	Joback Calculated Property
Vc	1.429	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1242.35; 1296.37]	J/mol×K	[1037.34; 1270.63]
Cp,gas	1242.35	J/mol×K	1037.34	Joback Calculated Property
Cp,gas	1256.35	J/mol×K	1076.22	Joback Calculated Property
Cp,gas	1268.35	J/mol×K	1115.10	Joback Calculated Property
Cp,gas	1278.34	J/mol×K	1153.98	Joback Calculated Property
Cp,gas	1286.34	J/mol×K	1192.87	Joback Calculated Property
Cp,gas	1292.35	J/mol×K	1231.75	Joback Calculated Property
Cp,gas	1296.37	J/mol×K	1270.63	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, tridec-2-yn-1-yl 2,6-dimethoxyphenyl ester.

Sources

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

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