Chemical Properties of Glutaric acid, 3-methylbut-2-en-1-yl cis-hex-3-enyl ester

InChI

InChI=1S/C16H26O4/c1-4-5-6-7-12-19-15(17)9-8-10-16(18)20-13-11-14(2)3/h5-6,11H,4,7-10,12-13H2,1-3H3/b6-5-

InChI Key

DQZBJDPMNWWDTG-WAYWQWQTSA-N

Formula

C16H26O4

SMILES

CCC=CCCOC(=O)CCCC(=O)OCC=C(C)C

Molecular Weight¹

282.38

• 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°	-232.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-638.52	kJ/mol	Joback Calculated Property
ΔfusH°	41.86	kJ/mol	Joback Calculated Property
ΔvapH°	69.52	kJ/mol	Joback Calculated Property
log10WS	-3.95		Crippen Calculated Property
logPoct/wat	3.566		Crippen Calculated Property
McVol	242.580	ml/mol	McGowan Calculated Property
Pc	1534.26	kPa	Joback Calculated Property
Inp	[1944.00; 1944.00]
Inp	1944.00		NIST
Inp	1944.00		NIST
Tboil	726.26	K	Joback Calculated Property
Tc	913.61	K	Joback Calculated Property
Tfus	390.28	K	Joback Calculated Property
Vc	0.941	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[686.64; 769.05]	J/mol×K	[726.26; 913.61]
Cp,gas	686.64	J/mol×K	726.26	Joback Calculated Property
Cp,gas	702.33	J/mol×K	757.49	Joback Calculated Property
Cp,gas	717.21	J/mol×K	788.71	Joback Calculated Property
Cp,gas	731.29	J/mol×K	819.94	Joback Calculated Property
Cp,gas	744.60	J/mol×K	851.16	Joback Calculated Property
Cp,gas	757.18	J/mol×K	882.39	Joback Calculated Property
Cp,gas	769.05	J/mol×K	913.61	Joback Calculated Property

Similar Compounds

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

Sources

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

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