Chemical Properties of Glutaric acid, decyl 3-methylbut-3-enyl ester

InChI

InChI=1S/C20H36O4/c1-4-5-6-7-8-9-10-11-16-23-19(21)13-12-14-20(22)24-17-15-18(2)3/h2,4-17H2,1,3H3

InChI Key

AQNGKYIGDWFMRW-UHFFFAOYSA-N

Formula

C20H36O4

SMILES

C=C(C)CCOC(=O)CCCC(=O)OCCCCCCCCCC

Molecular Weight¹

340.50

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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	0.9949		Relay (1.0) Calculated Property
ΔfH°gas	-977.06	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	53.70	kJ/mol	Joback Calculated Property
ΔvapH°	97.67	kJ/mol	Relay (1.0) Calculated Property
IE	9.22	eV	Relay (1.0) Calculated Property
log10WS	-5.01		Relay (1.0) Calculated Property
logPoct/wat	5.350		Crippen Calculated Property
McVol	303.240	ml/mol	McGowan Calculated Property
Pc	1053.46	kPa	Joback Calculated Property
Inp	[2381.00; 2381.00]
Inp	2381.00		NIST
Inp	2381.00		NIST
Tboil	629.78	K	Relay (1.0) Calculated Property
Tc	786.59	K	Relay (1.0) Calculated Property
Tfus	269.24	K	Relay (1.0) Calculated Property
Vc	1.155	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[925.50; 1018.31]	J/mol×K	[770.20; 948.71]
Cp,gas	925.50	J/mol×K	770.20	Joback Calculated Property
Cp,gas	943.48	J/mol×K	799.95	Joback Calculated Property
Cp,gas	960.43	J/mol×K	829.70	Joback Calculated Property
Cp,gas	976.37	J/mol×K	859.46	Joback Calculated Property
Cp,gas	991.31	J/mol×K	889.21	Joback Calculated Property
Cp,gas	1005.28	J/mol×K	918.96	Joback Calculated Property
Cp,gas	1018.31	J/mol×K	948.71	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, decyl 3-methylbut-3-enyl ester.

Sources

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

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