Chemical Properties of Fumaric acid, 2-chloro-5-methylphenyl pentyl ester

InChI

InChI=1S/C16H19ClO4/c1-3-4-5-10-20-15(18)8-9-16(19)21-14-11-12(2)6-7-13(14)17/h6-9,11H,3-5,10H2,1-2H3/b9-8+

InChI Key

LRSWQFVWJUANNJ-CMDGGOBGSA-N

Formula

C16H19ClO4

SMILES

CCCCCOC(=O)/C=C/C(=O)Oc1cc(C)ccc1Cl

Molecular Weight¹

310.78

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[324.82; 714.08]	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			3.25640e+01
Coefficient B			1.24314e+00
Coefficient C			-6.58720e-04
Coefficient D			9.71000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	324.82	J/mol×K	273.00	Calculated Property
Cp,gas	394.21	J/mol×K	353.78	Calculated Property
Cp,gas	456.35	J/mol×K	434.56	Calculated Property
Cp,gas	511.55	J/mol×K	515.33	Calculated Property
Cp,gas	560.11	J/mol×K	596.11	Calculated Property
Cp,gas	602.33	J/mol×K	676.89	Calculated Property
Cp,gas	638.54	J/mol×K	757.67	Calculated Property
Cp,gas	669.03	J/mol×K	838.44	Calculated Property
Cp,gas	694.11	J/mol×K	919.22	Calculated Property
Cp,gas	714.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008324; 0.0000868]	Pa×s	[431.04; 678.13]	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			-1.32969e+01
Coefficient B			2.67490e+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.			431.04
Temperature range, max.			678.13
η	0.0008324	Pa×s	431.04	Calculated Property
η	0.0005740	Pa×s	458.49	Calculated Property
η	0.0004128	Pa×s	485.95	Calculated Property
η	0.0003076	Pa×s	513.40	Calculated Property
η	0.0002361	Pa×s	540.86	Calculated Property
η	0.0001859	Pa×s	568.31	Calculated Property
η	0.0001497	Pa×s	595.77	Calculated Property
η	0.0001228	Pa×s	623.22	Calculated Property
η	0.0001025	Pa×s	650.67	Calculated Property
η	0.0000868	Pa×s	678.13	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2-chloro-5-methylphenyl pentyl 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.