Chemical Properties of Glutaric acid, 2,3-dimethylphenyl isobutyl ester

InChI

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

InChI Key

RXVRMZLCIUESRK-UHFFFAOYSA-N

Formula

C17H24O4

SMILES

Cc1cccc(OC(=O)CCCC(=O)OCC(C)C)c1C

Molecular Weight¹

292.37

• 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).
• P_c : Critical Pressure (kPa).
• 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	-808.00	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.26	kJ/mol	Joback Calculated Property
ΔvapH°	88.76	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.578		Crippen Calculated Property
McVol	241.510	ml/mol	McGowan Calculated Property
Pc	1561.05	kPa	Joback Calculated Property
Inp	[2177.00; 2177.00]
Inp	2177.00		NIST
Inp	2177.00		NIST
Tboil	614.47	K	Relay (1.0) Calculated Property
Tc	814.74	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[346.32; 788.52]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.12640e+01
Coefficient B			1.31728e+00
Coefficient C			-6.12120e-04
Coefficient D			5.21000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	346.32	J/mol×K	273.00	Calculated Property
Cp,gas	422.98	J/mol×K	353.78	Calculated Property
Cp,gas	492.38	J/mol×K	434.56	Calculated Property
Cp,gas	554.67	J/mol×K	515.33	Calculated Property
Cp,gas	610.03	J/mol×K	596.11	Calculated Property
Cp,gas	658.61	J/mol×K	676.89	Calculated Property
Cp,gas	700.59	J/mol×K	757.67	Calculated Property
Cp,gas	736.13	J/mol×K	838.44	Calculated Property
Cp,gas	765.38	J/mol×K	919.22	Calculated Property
Cp,gas	788.52	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012267; 0.0000939]	Pa×s	[402.47; 658.62]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.33110e+01
Coefficient B			2.65932e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			402.47
Temperature range, max.			658.62
η	0.0012267	Pa×s	402.47	Calculated Property
η	0.0007929	Pa×s	430.93	Calculated Property
η	0.0005410	Pa×s	459.39	Calculated Property
η	0.0003859	Pa×s	487.85	Calculated Property
η	0.0002858	Pa×s	516.31	Calculated Property
η	0.0002183	Pa×s	544.77	Calculated Property
η	0.0001713	Pa×s	573.24	Calculated Property
η	0.0001376	Pa×s	601.70	Calculated Property
η	0.0001127	Pa×s	630.16	Calculated Property
η	0.0000939	Pa×s	658.62	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,3-dimethylphenyl isobutyl ester.

Sources

• Cheméo Relay (1.0)
• 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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