Chemical Properties of Glutaric acid, 3-methylbut-2-en-1-yl 3-methyl-5-methoxypentyl ester

InChI

InChI=1S/C17H30O5/c1-14(2)8-12-21-16(18)6-5-7-17(19)22-13-10-15(3)9-11-20-4/h8,15H,5-7,9-13H2,1-4H3

InChI Key

HVHQQXIBVIMXJJ-UHFFFAOYSA-N

Formula

C17H30O5

SMILES

COCCC(C)CCOC(=O)CCCC(=O)OCC=C(C)C

Molecular Weight¹

314.42

• 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	0.8364		Relay (1.0) Calculated Property
ΔfG°	-411.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-1048.51	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.92	kJ/mol	Joback Calculated Property
ΔvapH°	86.62	kJ/mol	Relay (1.0) Calculated Property
IE	8.54	eV	Relay (1.0) Calculated Property
log10WS	-2.98		Relay (1.0) Calculated Property
logPoct/wat	3.272		Crippen Calculated Property
McVol	266.840	ml/mol	McGowan Calculated Property
Pc	1361.64	kPa	Joback Calculated Property
Inp	[2107.00; 2107.00]
Inp	2107.00		NIST
Inp	2107.00		NIST
Tboil	607.21	K	Relay (1.0) Calculated Property
Tc	765.07	K	Relay (1.0) Calculated Property
Tfus	248.55	K	Relay (1.0) Calculated Property
Vc	0.965	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[797.35; 882.83]	J/mol×K	[766.96; 952.45]
Cp,gas	797.35	J/mol×K	766.96	Joback Calculated Property
Cp,gas	813.87	J/mol×K	797.87	Joback Calculated Property
Cp,gas	829.47	J/mol×K	828.79	Joback Calculated Property
Cp,gas	844.15	J/mol×K	859.70	Joback Calculated Property
Cp,gas	857.93	J/mol×K	890.62	Joback Calculated Property
Cp,gas	870.82	J/mol×K	921.53	Joback Calculated Property
Cp,gas	882.83	J/mol×K	952.45	Joback Calculated Property

Similar Compounds

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

Sources

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

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