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

InChI

InChI=1S/C22H33ClO4/c1-4-5-6-7-8-9-11-18(3)26-21(24)12-10-13-22(25)27-20-16-17(2)14-15-19(20)23/h14-16,18H,4-13H2,1-3H3

InChI Key

SZYTVYQXTNJYOG-UHFFFAOYSA-N

Formula

C22H33ClO4

SMILES

CCCCCCCCC(C)OC(=O)CCCC(=O)Oc1cc(C)ccc1Cl

Molecular Weight¹

396.95

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	55.41	kJ/mol	Joback Calculated Property
logPoct/wat	6.406		Crippen Calculated Property
McVol	324.200	ml/mol	McGowan Calculated Property
Inp	[2729.00; 2729.00]
Inp	2729.00		NIST
Inp	2729.00		NIST
Tboil	647.60	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[465.79; 1054.75]	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			3.96100e+01
Coefficient B			1.79906e+00
Coefficient C			-9.04520e-04
Coefficient D			1.20600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	465.79	J/mol×K	273.00	Calculated Property
Cp,gas	568.21	J/mol×K	353.78	Calculated Property
Cp,gas	660.49	J/mol×K	434.56	Calculated Property
Cp,gas	743.02	J/mol×K	515.33	Calculated Property
Cp,gas	816.18	J/mol×K	596.11	Calculated Property
Cp,gas	880.34	J/mol×K	676.89	Calculated Property
Cp,gas	935.90	J/mol×K	757.67	Calculated Property
Cp,gas	983.24	J/mol×K	838.44	Calculated Property
Cp,gas	1022.73	J/mol×K	919.22	Calculated Property
Cp,gas	1054.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005318; 0.0000454]	Pa×s	[488.74; 768.78]	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			-1.42942e+01
Coefficient B			3.30144e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			488.74
Temperature range, max.			768.78
η	0.0005318	Pa×s	488.74	Calculated Property
η	0.0003550	Pa×s	519.86	Calculated Property
η	0.0002480	Pa×s	550.97	Calculated Property
η	0.0001800	Pa×s	582.09	Calculated Property
η	0.0001350	Pa×s	613.20	Calculated Property
η	0.0001041	Pa×s	644.32	Calculated Property
η	0.0000822	Pa×s	675.43	Calculated Property
η	0.0000663	Pa×s	706.55	Calculated Property
η	0.0000544	Pa×s	737.66	Calculated Property
η	0.0000454	Pa×s	768.78	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, dec-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.
These property values are available through the Cheméo API. A free account gives you an access key.