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

InChI

InChI=1S/C17H32O5/c1-13(2)15(4)22-17(19)8-6-7-16(18)21-12-10-14(3)9-11-20-5/h13-15H,6-12H2,1-5H3

InChI Key

ZSUAXNXPPVZXRR-UHFFFAOYSA-N

Formula

C17H32O5

SMILES

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

Molecular Weight¹

316.44

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1159.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.14	kJ/mol	Joback Calculated Property
ΔvapH°	83.67	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.350		Crippen Calculated Property
McVol	271.140	ml/mol	McGowan Calculated Property
Inp	[1999.00; 1999.00]
Inp	1999.00		NIST
Inp	1999.00		NIST
Tboil	593.66	K	Relay (1.0) Calculated Property
Tc	757.46	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[807.64; 898.47]	J/mol×K	[726.10; 904.23]
Cp,gas	807.64	J/mol×K	726.10	Joback Calculated Property
Cp,gas	825.25	J/mol×K	755.79	Joback Calculated Property
Cp,gas	841.87	J/mol×K	785.48	Joback Calculated Property
Cp,gas	857.50	J/mol×K	815.17	Joback Calculated Property
Cp,gas	872.14	J/mol×K	844.86	Joback Calculated Property
Cp,gas	885.79	J/mol×K	874.55	Joback Calculated Property
Cp,gas	898.47	J/mol×K	904.23	Joback Calculated Property
η	[0.0000387; 0.0034659]	Pa×s	[343.24; 726.10]
η	0.0034659	Pa×s	343.24	Joback Calculated Property
η	0.0009108	Pa×s	407.05	Joback Calculated Property
η	0.0003438	Pa×s	470.86	Joback Calculated Property
η	0.0001638	Pa×s	534.67	Joback Calculated Property
η	0.0000914	Pa×s	598.48	Joback Calculated Property
η	0.0000570	Pa×s	662.29	Joback Calculated Property
η	0.0000387	Pa×s	726.10	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.