Chemical Properties of Glutaric acid, 8-chlorooctyl non-5-yn-3-yl ester

InChI

InChI=1S/C22H37ClO4/c1-3-5-6-11-15-20(4-2)27-22(25)17-14-16-21(24)26-19-13-10-8-7-9-12-18-23/h20H,3-5,7-10,12-19H2,1-2H3

InChI Key

MJQBFGSJEBIVMS-UHFFFAOYSA-N

Formula

C22H37ClO4

SMILES

CCCC#CCC(CC)OC(=O)CCCC(=O)OCCCCCCCCCl

Molecular Weight¹

400.98

• 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°	-145.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-735.73	kJ/mol	Joback Calculated Property
ΔfusH°	62.11	kJ/mol	Joback Calculated Property
ΔvapH°	89.03	kJ/mol	Joback Calculated Property
log10WS	-6.82		Crippen Calculated Property
logPoct/wat	5.795		Crippen Calculated Property
McVol	339.360	ml/mol	McGowan Calculated Property
Pc	1035.90	kPa	Joback Calculated Property
Inp	[2779.00; 2779.00]
Inp	2779.00		NIST
Inp	2779.00		NIST
Tboil	901.33	K	Joback Calculated Property
Tc	1104.72	K	Joback Calculated Property
Tfus	603.04	K	Joback Calculated Property
Vc	1.321	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1070.96; 1155.05]	J/mol×K	[901.33; 1104.72]
Cp,gas	1070.96	J/mol×K	901.33	Joback Calculated Property
Cp,gas	1087.96	J/mol×K	935.23	Joback Calculated Property
Cp,gas	1103.74	J/mol×K	969.13	Joback Calculated Property
Cp,gas	1118.31	J/mol×K	1003.03	Joback Calculated Property
Cp,gas	1131.70	J/mol×K	1036.92	Joback Calculated Property
Cp,gas	1143.94	J/mol×K	1070.82	Joback Calculated Property
Cp,gas	1155.05	J/mol×K	1104.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 8-chlorooctyl non-5-yn-3-yl ester.

Sources

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

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