Chemical Properties of Glutaric acid, but-3-yn-2-yl 10-chlorodecyl ester

InChI

InChI=1S/C19H31ClO4/c1-3-17(2)24-19(22)14-12-13-18(21)23-16-11-9-7-5-4-6-8-10-15-20/h1,17H,4-16H2,2H3

InChI Key

XLATXYDPCOMELU-UHFFFAOYSA-N

Formula

C19H31ClO4

SMILES

C#CC(C)OC(=O)CCCC(=O)OCCCCCCCCCCCl

Molecular Weight¹

358.90

• 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°	-150.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-654.21	kJ/mol	Joback Calculated Property
ΔfusH°	54.19	kJ/mol	Joback Calculated Property
ΔvapH°	80.05	kJ/mol	Joback Calculated Property
log10WS	-5.56		Crippen Calculated Property
logPoct/wat	4.624		Crippen Calculated Property
McVol	297.090	ml/mol	McGowan Calculated Property
Pc	1247.73	kPa	Joback Calculated Property
Inp	[2471.00; 2471.00]
Inp	2471.00		NIST
Inp	2471.00		NIST
Tboil	813.81	K	Joback Calculated Property
Tc	1004.50	K	Joback Calculated Property
Tfus	510.10	K	Joback Calculated Property
Vc	1.153	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[885.43; 967.28]	J/mol×K	[813.81; 1004.50]
Cp,gas	885.43	J/mol×K	813.81	Joback Calculated Property
Cp,gas	901.42	J/mol×K	845.59	Joback Calculated Property
Cp,gas	916.45	J/mol×K	877.37	Joback Calculated Property
Cp,gas	930.52	J/mol×K	909.16	Joback Calculated Property
Cp,gas	943.67	J/mol×K	940.94	Joback Calculated Property
Cp,gas	955.92	J/mol×K	972.72	Joback Calculated Property
Cp,gas	967.28	J/mol×K	1004.50	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, but-3-yn-2-yl 10-chlorodecyl ester.

Sources

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

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