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

InChI

InChI=1S/C20H20Cl2O4/c1-13-9-17(21)5-3-15(13)11-25-19(23)7-8-20(24)26-12-16-4-6-18(22)10-14(16)2/h3-6,9-10H,7-8,11-12H2,1-2H3

InChI Key

QBHDOEVLWLVTRN-UHFFFAOYSA-N

Formula

C20H20Cl2O4

SMILES

Cc1cc(Cl)ccc1COC(=O)CCC(=O)OCc1ccc(Cl)cc1C

Molecular Weight¹

395.28

• 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°	51.21	kJ/mol	Joback Calculated Property
log10WS	-6.05		Relay (1.0) Calculated Property
logPoct/wat	5.177		Crippen Calculated Property
McVol	284.500	ml/mol	McGowan Calculated Property
Inp	[2952.00; 2952.00]
Inp	2952.00		NIST
Inp	2952.00		NIST
Tboil	676.12	K	Relay (1.0) Calculated Property
Tfus	353.17	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	[384.93; 834.69]	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			5.06940e+01
Coefficient B			1.41204e+00
Coefficient C			-7.10040e-04
Coefficient D			8.20000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	384.93	J/mol×K	273.00	Calculated Property
Cp,gas	465.01	J/mol×K	353.78	Calculated Property
Cp,gas	536.95	J/mol×K	434.56	Calculated Property
Cp,gas	601.02	J/mol×K	515.33	Calculated Property
Cp,gas	657.48	J/mol×K	596.11	Calculated Property
Cp,gas	706.59	J/mol×K	676.89	Calculated Property
Cp,gas	748.61	J/mol×K	757.67	Calculated Property
Cp,gas	783.79	J/mol×K	838.44	Calculated Property
Cp,gas	812.40	J/mol×K	919.22	Calculated Property
Cp,gas	834.69	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003010; 0.0000547]	Pa×s	[562.58; 805.75]	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			-1.37564e+01
Coefficient B			3.17752e+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.			562.58
Temperature range, max.			805.75
η	0.0003010	Pa×s	562.58	Calculated Property
η	0.0002324	Pa×s	589.60	Calculated Property
η	0.0001835	Pa×s	616.62	Calculated Property
η	0.0001478	Pa×s	643.64	Calculated Property
η	0.0001212	Pa×s	670.65	Calculated Property
η	0.0001008	Pa×s	697.67	Calculated Property
η	0.0000851	Pa×s	724.69	Calculated Property
η	0.0000727	Pa×s	751.71	Calculated Property
η	0.0000628	Pa×s	778.73	Calculated Property
η	0.0000547	Pa×s	805.75	Calculated Property

Similar Compounds

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