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

InChI

InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-14-20-26-22(24)18-15-19-23(25)27-21-16-12-13-17-21/h21H,2-10,12-13,15-20H2,1H3

InChI Key

KDCXAHMSJQDQCM-UHFFFAOYSA-N

Formula

C23H38O4

SMILES

CCCCCCCCCCC#CCOC(=O)CCCC(=O)OC1CCCC1

Molecular Weight¹

378.55

• 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°	-85.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-674.87	kJ/mol	Joback Calculated Property
ΔfusH°	57.96	kJ/mol	Joback Calculated Property
ΔvapH°	87.51	kJ/mol	Joback Calculated Property
log10WS	-6.98		Crippen Calculated Property
logPoct/wat	5.720		Crippen Calculated Property
McVol	330.350	ml/mol	McGowan Calculated Property
Pc	1115.57	kPa	Joback Calculated Property
Inp	[2768.00; 2768.00]
Inp	2768.00		NIST
Inp	2768.00		NIST
Tboil	902.50	K	Joback Calculated Property
Tc	1109.31	K	Joback Calculated Property
Tfus	610.29	K	Joback Calculated Property
Vc	1.274	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1094.76; 1185.12]	J/mol×K	[902.50; 1109.31]
Cp,gas	1094.76	J/mol×K	902.50	Joback Calculated Property
Cp,gas	1113.09	J/mol×K	936.97	Joback Calculated Property
Cp,gas	1130.07	J/mol×K	971.44	Joback Calculated Property
Cp,gas	1145.72	J/mol×K	1005.91	Joback Calculated Property
Cp,gas	1160.09	J/mol×K	1040.37	Joback Calculated Property
Cp,gas	1173.21	J/mol×K	1074.84	Joback Calculated Property
Cp,gas	1185.12	J/mol×K	1109.31	Joback Calculated Property

Similar Compounds

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

Sources

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

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