Chemical Properties of Glutaric acid, 4-chloro-3-methylphenyl 2-octyl ester

InChI

InChI=1S/C20H29ClO4/c1-4-5-6-7-9-16(3)24-19(22)10-8-11-20(23)25-17-12-13-18(21)15(2)14-17/h12-14,16H,4-11H2,1-3H3

InChI Key

NPBHZEOOYAKKLD-UHFFFAOYSA-N

Formula

C20H29ClO4

SMILES

CCCCCCC(C)OC(=O)CCCC(=O)Oc1ccc(Cl)c(C)c1

Molecular Weight¹

368.89

• 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.
• 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°	50.23	kJ/mol	Joback Calculated Property
logPoct/wat	5.626		Crippen Calculated Property
McVol	296.020	ml/mol	McGowan Calculated Property
Inp	[2616.00; 2616.00]
Inp	2616.00		NIST
Inp	2616.00		NIST
Tboil	640.61	K	Relay (1.0) Calculated Property
Tfus	302.56	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, 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	[423.37; 951.57]	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			4.14280e+01
Coefficient B			1.60906e+00
Coefficient C			-7.95720e-04
Coefficient D			9.68000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	423.37	J/mol×K	273.00	Calculated Property
Cp,gas	515.37	J/mol×K	353.78	Calculated Property
Cp,gas	598.33	J/mol×K	434.56	Calculated Property
Cp,gas	672.56	J/mol×K	515.33	Calculated Property
Cp,gas	738.35	J/mol×K	596.11	Calculated Property
Cp,gas	796.02	J/mol×K	676.89	Calculated Property
Cp,gas	845.87	J/mol×K	757.67	Calculated Property
Cp,gas	888.21	J/mol×K	838.44	Calculated Property
Cp,gas	923.34	J/mol×K	919.22	Calculated Property
Cp,gas	951.57	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006811; 0.0000593]	Pa×s	[466.20; 734.82]	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			-1.39695e+01
Coefficient B			3.11312e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			466.20
Temperature range, max.			734.82
η	0.0006811	Pa×s	466.20	Calculated Property
η	0.0004557	Pa×s	496.05	Calculated Property
η	0.0003192	Pa×s	525.89	Calculated Property
η	0.0002322	Pa×s	555.74	Calculated Property
η	0.0001746	Pa×s	585.59	Calculated Property
η	0.0001349	Pa×s	615.43	Calculated Property
η	0.0001068	Pa×s	645.28	Calculated Property
η	0.0000862	Pa×s	675.13	Calculated Property
η	0.0000710	Pa×s	704.97	Calculated Property
η	0.0000593	Pa×s	734.82	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 4-chloro-3-methylphenyl 2-octyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.