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

• 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°	-411.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-913.88	kJ/mol	Joback Calculated Property
ΔfusH°	41.92	kJ/mol	Joback Calculated Property
ΔvapH°	73.81	kJ/mol	Joback Calculated Property
log10WS	-3.36		Crippen 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	766.96	K	Joback Calculated Property
Tc	952.45	K	Joback Calculated Property
Tfus	413.86	K	Joback Calculated Property
Vc	1.028	m3/kmol	Joback 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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.