Chemical Properties of Succinic acid, di(2,4-dichlorobenzyl) ester

InChI

InChI=1S/C18H14Cl4O4/c19-13-3-1-11(15(21)7-13)9-25-17(23)5-6-18(24)26-10-12-2-4-14(20)8-16(12)22/h1-4,7-8H,5-6,9-10H2

InChI Key

VBOPUIURWHMRKV-UHFFFAOYSA-N

Formula

C18H14Cl4O4

SMILES

O=C(CCC(=O)OCc1ccc(Cl)cc1Cl)OCc1ccc(Cl)cc1Cl

Molecular Weight¹

436.11

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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°	54.43	kJ/mol	Joback Calculated Property
log10WS	-6.62		Relay (1.0) Calculated Property
logPoct/wat	5.867		Crippen Calculated Property
McVol	280.800	ml/mol	McGowan Calculated Property
Inp	[3097.00; 3097.00]
Inp	3097.00		NIST
Inp	3097.00		NIST
Tboil	676.41	K	Relay (1.0) Calculated Property
Tfus	361.32	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 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	[369.31; 748.05]	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			7.82940e+01
Coefficient B			1.23560e+00
Coefficient C			-6.42040e-04
Coefficient D			7.62000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	369.31	J/mol×K	273.00	Calculated Property
Cp,gas	438.44	J/mol×K	353.78	Calculated Property
Cp,gas	500.24	J/mol×K	434.56	Calculated Property
Cp,gas	554.96	J/mol×K	515.33	Calculated Property
Cp,gas	602.84	J/mol×K	596.11	Calculated Property
Cp,gas	644.12	J/mol×K	676.89	Calculated Property
Cp,gas	679.04	J/mol×K	757.67	Calculated Property
Cp,gas	707.84	J/mol×K	838.44	Calculated Property
Cp,gas	730.77	J/mol×K	919.22	Calculated Property
Cp,gas	748.05	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002500; 0.0000528]	Pa×s	[599.88; 833.13]	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			-1.38481e+01
Coefficient B			3.33184e+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.			599.88
Temperature range, max.			833.13
η	0.0002500	Pa×s	599.88	Calculated Property
η	0.0001987	Pa×s	625.80	Calculated Property
η	0.0001607	Pa×s	651.71	Calculated Property
η	0.0001322	Pa×s	677.63	Calculated Property
η	0.0001103	Pa×s	703.55	Calculated Property
η	0.0000932	Pa×s	729.47	Calculated Property
η	0.0000797	Pa×s	755.38	Calculated Property
η	0.0000688	Pa×s	781.30	Calculated Property
η	0.0000600	Pa×s	807.22	Calculated Property
η	0.0000528	Pa×s	833.13	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, di(2,4-dichlorobenzyl) 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.