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

InChI

InChI=1S/C25H42O4/c1-3-4-5-6-7-8-9-10-11-12-15-21-28-24(26)19-16-20-25(27)29-22(2)23-17-13-14-18-23/h22-23H,3-11,13-14,16-21H2,1-2H3

InChI Key

ASQRASOMOGHTKF-UHFFFAOYSA-N

Formula

C25H42O4

SMILES

CCCCCCCCCCC#CCOC(=O)CCCC(=O)OC(C)C1CCCC1

Molecular Weight¹

406.60

• 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°	-71.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-721.43	kJ/mol	Joback Calculated Property
ΔfusH°	59.61	kJ/mol	Joback Calculated Property
ΔvapH°	91.58	kJ/mol	Joback Calculated Property
log10WS	-7.57		Crippen Calculated Property
logPoct/wat	6.356		Crippen Calculated Property
McVol	358.530	ml/mol	McGowan Calculated Property
Pc	990.13	kPa	Joback Calculated Property
Inp	[2883.00; 2883.00]
Inp	2883.00		NIST
Inp	2883.00		NIST
Tboil	947.82	K	Joback Calculated Property
Tc	1161.39	K	Joback Calculated Property
Tfus	617.83	K	Joback Calculated Property
Vc	1.381	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1220.00; 1310.38]	J/mol×K	[947.82; 1161.39]
Cp,gas	1220.00	J/mol×K	947.82	Joback Calculated Property
Cp,gas	1238.67	J/mol×K	983.41	Joback Calculated Property
Cp,gas	1255.83	J/mol×K	1019.01	Joback Calculated Property
Cp,gas	1271.54	J/mol×K	1054.60	Joback Calculated Property
Cp,gas	1285.83	J/mol×K	1090.20	Joback Calculated Property
Cp,gas	1298.76	J/mol×K	1125.79	Joback Calculated Property
Cp,gas	1310.38	J/mol×K	1161.39	Joback Calculated Property

Similar Compounds

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

Sources

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

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