Chemical Properties of Glutaric acid, 2-methylpent-3-yl 4-chlorobenzyl ester

InChI

InChI=1S/C18H25ClO4/c1-4-16(13(2)3)23-18(21)7-5-6-17(20)22-12-14-8-10-15(19)11-9-14/h8-11,13,16H,4-7,12H2,1-3H3

InChI Key

FDMLNXASALJNCN-UHFFFAOYSA-N

Formula

C18H25ClO4

SMILES

CCC(OC(=O)CCCC(=O)OCc1ccc(Cl)cc1)C(C)C

Molecular Weight¹

340.84

• 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°	41.92	kJ/mol	Joback Calculated Property
logPoct/wat	4.531		Crippen Calculated Property
McVol	267.840	ml/mol	McGowan Calculated Property
Inp	[2346.00; 2346.00]
Inp	2346.00		NIST
Inp	2346.00		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	[378.07; 851.96]	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			2.72650e+01
Coefficient B			1.48446e+00
Coefficient C			-7.57160e-04
Coefficient D			9.74000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	378.07	J/mol×K	273.00	Calculated Property
Cp,gas	461.98	J/mol×K	353.78	Calculated Property
Cp,gas	537.36	J/mol×K	434.56	Calculated Property
Cp,gas	604.51	J/mol×K	515.33	Calculated Property
Cp,gas	663.74	J/mol×K	596.11	Calculated Property
Cp,gas	715.37	J/mol×K	676.89	Calculated Property
Cp,gas	759.70	J/mol×K	757.67	Calculated Property
Cp,gas	797.04	J/mol×K	838.44	Calculated Property
Cp,gas	827.69	J/mol×K	919.22	Calculated Property
Cp,gas	851.96	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013121; 0.0000695]	Pa×s	[416.14; 700.22]	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			-1.38786e+01
Coefficient B			3.01388e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			416.14
Temperature range, max.			700.22
η	0.0013121	Pa×s	416.14	Calculated Property
η	0.0007874	Pa×s	447.70	Calculated Property
η	0.0005054	Pa×s	479.27	Calculated Property
η	0.0003427	Pa×s	510.83	Calculated Property
η	0.0002431	Pa×s	542.40	Calculated Property
η	0.0001791	Pa×s	573.96	Calculated Property
η	0.0001362	Pa×s	605.53	Calculated Property
η	0.0001064	Pa×s	637.09	Calculated Property
η	0.0000851	Pa×s	668.66	Calculated Property
η	0.0000695	Pa×s	700.22	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-methylpent-3-yl 4-chlorobenzyl 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

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