Chemical Properties of Glutaric acid, cyclohexylmethyl 2-chloro-5-methylphenyl ester

InChI

InChI=1S/C19H25ClO4/c1-14-10-11-16(20)17(12-14)24-19(22)9-5-8-18(21)23-13-15-6-3-2-4-7-15/h10-12,15H,2-9,13H2,1H3

InChI Key

AXAUMGDYPICLTD-UHFFFAOYSA-N

Formula

C19H25ClO4

SMILES

Cc1ccc(Cl)c(OC(=O)CCCC(=O)OCC2CCCCC2)c1

Molecular Weight¹

352.85

• 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°	43.00	kJ/mol	Joback Calculated Property
logPoct/wat	4.848		Crippen Calculated Property
McVol	271.070	ml/mol	McGowan Calculated Property
Inp	[2659.00; 2659.00]
Inp	2659.00		NIST
Inp	2659.00		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	[364.35; 884.51]	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			-2.15860e+01
Coefficient B			1.63022e+00
Coefficient C			-8.19120e-04
Coefficient D			9.50000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	364.35	J/mol×K	273.00	Calculated Property
Cp,gas	456.84	J/mol×K	353.78	Calculated Property
Cp,gas	539.95	J/mol×K	434.56	Calculated Property
Cp,gas	613.99	J/mol×K	515.33	Calculated Property
Cp,gas	679.26	J/mol×K	596.11	Calculated Property
Cp,gas	736.05	J/mol×K	676.89	Calculated Property
Cp,gas	784.67	J/mol×K	757.67	Calculated Property
Cp,gas	825.43	J/mol×K	838.44	Calculated Property
Cp,gas	858.60	J/mol×K	919.22	Calculated Property
Cp,gas	884.51	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007467; 0.0000717]	Pa×s	[477.31; 745.97]	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			-1.37059e+01
Coefficient B			3.10541e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			477.31
Temperature range, max.			745.97
η	0.0007467	Pa×s	477.31	Calculated Property
η	0.0005091	Pa×s	507.16	Calculated Property
η	0.0003622	Pa×s	537.01	Calculated Property
η	0.0002671	Pa×s	566.86	Calculated Property
η	0.0002031	Pa×s	596.71	Calculated Property
η	0.0001585	Pa×s	626.57	Calculated Property
η	0.0001265	Pa×s	656.42	Calculated Property
η	0.0001030	Pa×s	686.27	Calculated Property
η	0.0000853	Pa×s	716.12	Calculated Property
η	0.0000717	Pa×s	745.97	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, cyclohexylmethyl 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

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