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

InChI

InChI=1S/C20H32Cl2O4/c1-2-3-4-5-6-7-8-9-10-11-12-16-25-19(23)14-13-15-20(24)26-17-18(21)22/h18H,2-10,13-17H2,1H3

InChI Key

JUMAKTXMLFVCGA-UHFFFAOYSA-N

Formula

C20H32Cl2O4

SMILES

CCCCCCCCCCC#CCOC(=O)CCCC(=O)OCC(Cl)Cl

Molecular Weight¹

407.37

• 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°	-173.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-710.19	kJ/mol	Joback Calculated Property
ΔfusH°	61.12	kJ/mol	Joback Calculated Property
ΔvapH°	88.96	kJ/mol	Joback Calculated Property
log10WS	-6.63		Crippen Calculated Property
logPoct/wat	5.581		Crippen Calculated Property
McVol	323.420	ml/mol	McGowan Calculated Property
Pc	1147.54	kPa	Joback Calculated Property
Inp	[2727.00; 2727.00]
Inp	2727.00		NIST
Inp	2727.00		NIST
Tboil	893.00	K	Joback Calculated Property
Tc	1097.03	K	Joback Calculated Property
Tfus	610.42	K	Joback Calculated Property
Vc	1.258	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[977.64; 1053.18]	J/mol×K	[893.00; 1097.03]
Cp,gas	977.64	J/mol×K	893.00	Joback Calculated Property
Cp,gas	992.99	J/mol×K	927.00	Joback Calculated Property
Cp,gas	1007.21	J/mol×K	961.01	Joback Calculated Property
Cp,gas	1020.31	J/mol×K	995.01	Joback Calculated Property
Cp,gas	1032.33	J/mol×K	1029.02	Joback Calculated Property
Cp,gas	1043.28	J/mol×K	1063.02	Joback Calculated Property
Cp,gas	1053.18	J/mol×K	1097.03	Joback Calculated Property

Similar Compounds

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

Sources

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

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