Chemical Properties of Glutaric acid, 3-methylbut-2-yl 3-methylphenyl ester

InChI

InChI=1S/C17H24O4/c1-12(2)14(4)20-16(18)9-6-10-17(19)21-15-8-5-7-13(3)11-15/h5,7-8,11-12,14H,6,9-10H2,1-4H3

InChI Key

VONPGNCWYRGYMZ-UHFFFAOYSA-N

Formula

C17H24O4

SMILES

Cc1cccc(OC(=O)CCCC(=O)OC(C)C(C)C)c1

Molecular Weight¹

292.37

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	35.13	kJ/mol	Joback Calculated Property
IE	8.44	eV	Relay (1.0) Calculated Property
log10WS	-3.75		Relay (1.0) Calculated Property
logPoct/wat	3.658		Crippen Calculated Property
McVol	241.510	ml/mol	McGowan Calculated Property
Inp	[2047.00; 2047.00]
Inp	2047.00		NIST
Inp	2047.00		NIST
Tboil	606.22	K	Relay (1.0) Calculated Property
Tfus	291.78	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[693.69; 774.87]	J/mol×K	[735.78; 937.58]
Cp,gas	693.69	J/mol×K	735.78	Joback Calculated Property
Cp,gas	710.03	J/mol×K	769.41	Joback Calculated Property
Cp,gas	725.21	J/mol×K	803.05	Joback Calculated Property
Cp,gas	739.28	J/mol×K	836.68	Joback Calculated Property
Cp,gas	752.23	J/mol×K	870.31	Joback Calculated Property
Cp,gas	764.09	J/mol×K	903.95	Joback Calculated Property
Cp,gas	774.87	J/mol×K	937.58	Joback Calculated Property
η	[0.0000553; 0.0020114]	Pa×s	[374.95; 735.78]
η	0.0020114	Pa×s	374.95	Joback Calculated Property
η	0.0007303	Pa×s	435.09	Joback Calculated Property
η	0.0003391	Pa×s	495.23	Joback Calculated Property
η	0.0001859	Pa×s	555.37	Joback Calculated Property
η	0.0001146	Pa×s	615.50	Joback Calculated Property
η	0.0000770	Pa×s	675.64	Joback Calculated Property
η	0.0000553	Pa×s	735.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-methylbut-2-yl 3-methylphenyl 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.
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