Chemical Properties of Glutaric acid, 3-methylbut-2-en-1-yl oct-3-en-2-yl ester

InChI

InChI=1S/C18H30O4/c1-5-6-7-8-10-16(4)22-18(20)12-9-11-17(19)21-14-13-15(2)3/h8,10,13,16H,5-7,9,11-12,14H2,1-4H3/b10-8+

InChI Key

JESDHEUYUVJEFP-CSKARUKUSA-N

Formula

C18H30O4

SMILES

CCCCC=CC(C)OC(=O)CCCC(=O)OCC=C(C)C

Molecular Weight¹

310.43

• 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°	-217.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-685.08	kJ/mol	Joback Calculated Property
ΔfusH°	43.52	kJ/mol	Joback Calculated Property
ΔvapH°	73.58	kJ/mol	Joback Calculated Property
log10WS	-4.90		Crippen Calculated Property
logPoct/wat	4.344		Crippen Calculated Property
McVol	270.760	ml/mol	McGowan Calculated Property
Pc	1334.91	kPa	Joback Calculated Property
Inp	[2047.00; 2047.00]
Inp	2047.00		NIST
Inp	2047.00		NIST
Tboil	771.58	K	Joback Calculated Property
Tc	960.84	K	Joback Calculated Property
Tfus	397.82	K	Joback Calculated Property
Vc	1.046	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[800.84; 887.72]	J/mol×K	[771.58; 960.84]
Cp,gas	800.84	J/mol×K	771.58	Joback Calculated Property
Cp,gas	817.48	J/mol×K	803.12	Joback Calculated Property
Cp,gas	833.21	J/mol×K	834.67	Joback Calculated Property
Cp,gas	848.07	J/mol×K	866.21	Joback Calculated Property
Cp,gas	862.09	J/mol×K	897.76	Joback Calculated Property
Cp,gas	875.29	J/mol×K	929.30	Joback Calculated Property
Cp,gas	887.72	J/mol×K	960.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-methylbut-2-en-1-yl oct-3-en-2-yl ester.

Sources

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

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