Chemical Properties of Glutaric acid, tridec-2-yn-1-yl 4-chloro-2-methoxyphenyl ester

InChI

InChI=1S/C25H35ClO5/c1-3-4-5-6-7-8-9-10-11-12-13-19-30-24(27)15-14-16-25(28)31-22-18-17-21(26)20-23(22)29-2/h17-18,20H,3-11,14-16,19H2,1-2H3

InChI Key

HMNQTZLTUGTAEN-UHFFFAOYSA-N

Formula

C25H35ClO5

SMILES

CCCCCCCCCCC#CCOC(=O)CCCC(=O)Oc1ccc(Cl)cc1OC

Molecular Weight¹

451.00

• 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°	-129.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-711.00	kJ/mol	Joback Calculated Property
ΔfusH°	67.85	kJ/mol	Joback Calculated Property
ΔvapH°	102.10	kJ/mol	Joback Calculated Property
log10WS	-7.94		Crippen Calculated Property
logPoct/wat	6.502		Crippen Calculated Property
McVol	363.740	ml/mol	McGowan Calculated Property
Pc	1027.94	kPa	Joback Calculated Property
Inp	[3280.00; 3280.00]
Inp	3280.00		NIST
Inp	3280.00		NIST
Tboil	1029.47	K	Joback Calculated Property
Tc	1260.36	K	Joback Calculated Property
Tfus	725.54	K	Joback Calculated Property
Vc	1.405	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1176.83; 1233.86]	J/mol×K	[1029.47; 1260.36]
Cp,gas	1176.83	J/mol×K	1029.47	Joback Calculated Property
Cp,gas	1190.51	J/mol×K	1067.95	Joback Calculated Property
Cp,gas	1202.50	J/mol×K	1106.43	Joback Calculated Property
Cp,gas	1212.80	J/mol×K	1144.92	Joback Calculated Property
Cp,gas	1221.45	J/mol×K	1183.40	Joback Calculated Property
Cp,gas	1228.46	J/mol×K	1221.88	Joback Calculated Property
Cp,gas	1233.86	J/mol×K	1260.36	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, tridec-2-yn-1-yl 4-chloro-2-methoxyphenyl ester.

Sources

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

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