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

InChI

InChI=1S/C18H30O4/c1-5-7-8-10-16(6-2)22-18(20)12-9-11-17(19)21-14-13-15(3)4/h6,13,16H,2,5,7-12,14H2,1,3-4H3

InChI Key

JCSYQUGBUAKRTN-UHFFFAOYSA-N

Formula

C18H30O4

SMILES

C=CC(CCCCC)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°	-210.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-676.87	kJ/mol	Joback Calculated Property
ΔfusH°	42.04	kJ/mol	Joback Calculated Property
ΔvapH°	72.95	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	1325.20	kPa	Joback Calculated Property
Inp	[2028.00; 2028.00]
Inp	2028.00		NIST
Inp	2028.00		NIST
Tboil	764.10	K	Joback Calculated Property
Tc	950.65	K	Joback Calculated Property
Tfus	401.14	K	Joback Calculated Property
Vc	1.048	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[799.54; 886.19]	J/mol×K	[764.10; 950.65]
Cp,gas	799.54	J/mol×K	764.10	Joback Calculated Property
Cp,gas	816.17	J/mol×K	795.19	Joback Calculated Property
Cp,gas	831.90	J/mol×K	826.28	Joback Calculated Property
Cp,gas	846.74	J/mol×K	857.38	Joback Calculated Property
Cp,gas	860.71	J/mol×K	888.47	Joback Calculated Property
Cp,gas	873.86	J/mol×K	919.56	Joback Calculated Property
Cp,gas	886.19	J/mol×K	950.65	Joback Calculated Property

Similar Compounds

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

Sources

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

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