Chemical Properties of Glutaric acid, 3-methylbut-2-yl 2-chloro-5-methylphenyl ester

InChI

InChI=1S/C17H23ClO4/c1-11(2)13(4)21-16(19)6-5-7-17(20)22-15-10-12(3)8-9-14(15)18/h8-11,13H,5-7H2,1-4H3

InChI Key

ZOEZZAYIGOPGMN-UHFFFAOYSA-N

Formula

C17H23ClO4

SMILES

Cc1ccc(Cl)c(OC(=O)CCCC(=O)OC(C)C(C)C)c1

Molecular Weight¹

326.81

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	38.94	kJ/mol	Joback Calculated Property
logPoct/wat	4.312		Crippen Calculated Property
McVol	253.750	ml/mol	McGowan Calculated Property
Inp	[2227.00; 2227.00]
Inp	2227.00		NIST
Inp	2227.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, 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	[359.41; 797.33]	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			4.24730e+01
Coefficient B			1.32998e+00
Coefficient C			-6.35720e-04
Coefficient D			6.06000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	359.41	J/mol×K	273.00	Calculated Property
Cp,gas	436.11	J/mol×K	353.78	Calculated Property
Cp,gas	505.35	J/mol×K	434.56	Calculated Property
Cp,gas	567.32	J/mol×K	515.33	Calculated Property
Cp,gas	622.22	J/mol×K	596.11	Calculated Property
Cp,gas	670.24	J/mol×K	676.89	Calculated Property
Cp,gas	711.57	J/mol×K	757.67	Calculated Property
Cp,gas	746.40	J/mol×K	838.44	Calculated Property
Cp,gas	774.93	J/mol×K	919.22	Calculated Property
Cp,gas	797.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011648; 0.0000775]	Pa×s	[417.39; 689.16]	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			-1.36276e+01
Coefficient B			2.86846e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			417.39
Temperature range, max.			689.16
η	0.0011648	Pa×s	417.39	Calculated Property
η	0.0007326	Pa×s	447.59	Calculated Property
η	0.0004886	Pa×s	477.78	Calculated Property
η	0.0003420	Pa×s	507.98	Calculated Property
η	0.0002491	Pa×s	538.18	Calculated Property
η	0.0001877	Pa×s	568.37	Calculated Property
η	0.0001455	Pa×s	598.57	Calculated Property
η	0.0001156	Pa×s	628.77	Calculated Property
η	0.0000938	Pa×s	658.96	Calculated Property
η	0.0000775	Pa×s	689.16	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-methylbut-2-yl 2-chloro-5-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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