Chemical Properties of Glutaric acid, 8-chlorooctyl 2,6-dimethylnon-1-en-3-yn-5-yl ester

InChI

InChI=1S/C24H39ClO4/c1-5-13-21(4)22(17-16-20(2)3)29-24(27)15-12-14-23(26)28-19-11-9-7-6-8-10-18-25/h21-22H,2,5-15,18-19H2,1,3-4H3

InChI Key

RYVQVUMQJFFIQP-UHFFFAOYSA-N

Formula

C24H39ClO4

SMILES

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

Molecular Weight¹

427.02

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.9940		Relay (1.0) Calculated Property
ΔfG°	-51.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-812.77	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	61.17	kJ/mol	Joback Calculated Property
ΔvapH°	111.07	kJ/mol	Relay (1.0) Calculated Property
IE	9.10	eV	Relay (1.0) Calculated Property
log10WS	-5.93		Relay (1.0) Calculated Property
logPoct/wat	6.207		Crippen Calculated Property
McVol	363.240	ml/mol	McGowan Calculated Property
Pc	950.25	kPa	Joback Calculated Property
Inp	[2807.00; 2807.00]
Inp	2807.00		NIST
Inp	2807.00		NIST
Tboil	645.24	K	Relay (1.0) Calculated Property
Tc	838.33	K	Relay (1.0) Calculated Property
Tfus	284.56	K	Relay (1.0) Calculated Property
Vc	1.296	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1165.04; 1248.87]	J/mol×K	[943.21; 1155.06]
Cp,gas	1165.04	J/mol×K	943.21	Joback Calculated Property
Cp,gas	1182.20	J/mol×K	978.52	Joback Calculated Property
Cp,gas	1198.04	J/mol×K	1013.83	Joback Calculated Property
Cp,gas	1212.58	J/mol×K	1049.13	Joback Calculated Property
Cp,gas	1225.87	J/mol×K	1084.44	Joback Calculated Property
Cp,gas	1237.96	J/mol×K	1119.75	Joback Calculated Property
Cp,gas	1248.87	J/mol×K	1155.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 8-chlorooctyl 2,6-dimethylnon-1-en-3-yn-5-yl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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