Chemical Properties of Succinic acid, 2,4,6-trichlorophenyl 3-hexyl ester

InChI

InChI=1S/C16H19Cl3O4/c1-3-5-11(4-2)22-14(20)6-7-15(21)23-16-12(18)8-10(17)9-13(16)19/h8-9,11H,3-7H2,1-2H3

InChI Key

XKUYVMANGULWHN-UHFFFAOYSA-N

Formula

C16H19Cl3O4

SMILES

CCCC(CC)OC(=O)CCC(=O)Oc1c(Cl)cc(Cl)cc1Cl

Molecular Weight¹

381.68

• 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°	47.88	kJ/mol	Joback Calculated Property
logPoct/wat	5.454		Crippen Calculated Property
McVol	264.140	ml/mol	McGowan Calculated Property
Inp	[2393.00; 2393.00]
Inp	2393.00		NIST
Inp	2393.00		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	[367.87; 758.71]	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			8.51450e+01
Coefficient B			1.18314e+00
Coefficient C			-5.51880e-04
Coefficient D			4.23000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	367.87	J/mol×K	273.00	Calculated Property
Cp,gas	436.51	J/mol×K	353.78	Calculated Property
Cp,gas	498.54	J/mol×K	434.56	Calculated Property
Cp,gas	554.08	J/mol×K	515.33	Calculated Property
Cp,gas	603.28	J/mol×K	596.11	Calculated Property
Cp,gas	646.26	J/mol×K	676.89	Calculated Property
Cp,gas	683.16	J/mol×K	757.67	Calculated Property
Cp,gas	714.11	J/mol×K	838.44	Calculated Property
Cp,gas	739.25	J/mol×K	919.22	Calculated Property
Cp,gas	758.71	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005544; 0.0000741]	Pa×s	[493.48; 734.25]	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			-1.36334e+01
Coefficient B			3.02786e+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.			493.48
Temperature range, max.			734.25
η	0.0005544	Pa×s	493.48	Calculated Property
η	0.0004044	Pa×s	520.23	Calculated Property
η	0.0003042	Pa×s	546.98	Calculated Property
η	0.0002350	Pa×s	573.74	Calculated Property
η	0.0001858	Pa×s	600.49	Calculated Property
η	0.0001498	Pa×s	627.24	Calculated Property
η	0.0001230	Pa×s	653.99	Calculated Property
η	0.0001025	Pa×s	680.74	Calculated Property
η	0.0000866	Pa×s	707.50	Calculated Property
η	0.0000741	Pa×s	734.25	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,4,6-trichlorophenyl 3-hexyl 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.