Chemical Properties of Glutaric acid, hexa-1,5-dien-3-yl 3-methylbut-2-en-1-yl ester

InChI

InChI=1S/C16H24O4/c1-5-8-14(6-2)20-16(18)10-7-9-15(17)19-12-11-13(3)4/h5-6,11,14H,1-2,7-10,12H2,3-4H3

InChI Key

JSUQWQBCOJDIJD-UHFFFAOYSA-N

Formula

C16H24O4

SMILES

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

Molecular Weight¹

280.36

• 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	0.6773		Relay (1.0) Calculated Property
ΔfG°	-139.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-746.07	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.58	kJ/mol	Joback Calculated Property
ΔvapH°	81.46	kJ/mol	Relay (1.0) Calculated Property
IE	8.68	eV	Relay (1.0) Calculated Property
log10WS	-3.10		Relay (1.0) Calculated Property
logPoct/wat	3.340		Crippen Calculated Property
McVol	238.280	ml/mol	McGowan Calculated Property
Pc	1583.49	kPa	Joback Calculated Property
Inp	[1821.00; 1821.00]
Inp	1821.00		NIST
Inp	1821.00		NIST
Tboil	582.17	K	Relay (1.0) Calculated Property
Tc	738.53	K	Relay (1.0) Calculated Property
Tfus	246.48	K	Relay (1.0) Calculated Property
Vc	0.826	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[661.61; 741.82]	J/mol×K	[715.02; 904.00]
Cp,gas	661.61	J/mol×K	715.02	Joback Calculated Property
Cp,gas	676.98	J/mol×K	746.52	Joback Calculated Property
Cp,gas	691.51	J/mol×K	778.01	Joback Calculated Property
Cp,gas	705.24	J/mol×K	809.51	Joback Calculated Property
Cp,gas	718.18	J/mol×K	841.01	Joback Calculated Property
Cp,gas	730.37	J/mol×K	872.50	Joback Calculated Property
Cp,gas	741.82	J/mol×K	904.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, hexa-1,5-dien-3-yl 3-methylbut-2-en-1-yl ester.

Sources

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

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