Chemical Properties of Succinic acid, 2,4,6-trichlorophenyl trans-4-tert-butylcyclohexyl ester

InChI

InChI=1S/C20H25Cl3O4/c1-20(2,3)12-4-6-14(7-5-12)26-17(24)8-9-18(25)27-19-15(22)10-13(21)11-16(19)23/h10-12,14H,4-9H2,1-3H3

InChI Key

LWEKSCLFWMHMFX-UHFFFAOYSA-N

Formula

C20H25Cl3O4

SMILES

CC(C)(C)C1CCC(OC(=O)CCC(=O)Oc2c(Cl)cc(Cl)cc2Cl)CC1

Molecular Weight¹

435.77

• 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°	47.25	kJ/mol	Joback Calculated Property
logPoct/wat	6.481		Crippen Calculated Property
McVol	309.640	ml/mol	McGowan Calculated Property
Inp	[3018.00; 3018.00]
Inp	3018.00		NIST
Inp	3018.00		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	[415.73; 957.73]	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			-9.48000e-01
Coefficient B			1.77866e+00
Coefficient C			-9.63680e-04
Coefficient D			1.43700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	415.73	J/mol×K	273.00	Calculated Property
Cp,gas	514.05	J/mol×K	353.78	Calculated Property
Cp,gas	601.79	J/mol×K	434.56	Calculated Property
Cp,gas	679.40	J/mol×K	515.33	Calculated Property
Cp,gas	747.33	J/mol×K	596.11	Calculated Property
Cp,gas	806.04	J/mol×K	676.89	Calculated Property
Cp,gas	855.98	J/mol×K	757.67	Calculated Property
Cp,gas	897.60	J/mol×K	838.44	Calculated Property
Cp,gas	931.37	J/mol×K	919.22	Calculated Property
Cp,gas	957.73	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003485; 0.0000475]	Pa×s	[559.12; 821.90]	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			-1.41929e+01
Coefficient B			3.48380e+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.			559.12
Temperature range, max.			821.90
η	0.0003485	Pa×s	559.12	Calculated Property
η	0.0002558	Pa×s	588.32	Calculated Property
η	0.0001933	Pa×s	617.51	Calculated Property
η	0.0001498	Pa×s	646.71	Calculated Property
η	0.0001187	Pa×s	675.91	Calculated Property
η	0.0000959	Pa×s	705.11	Calculated Property
η	0.0000788	Pa×s	734.30	Calculated Property
η	0.0000657	Pa×s	763.50	Calculated Property
η	0.0000556	Pa×s	792.70	Calculated Property
η	0.0000475	Pa×s	821.90	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,4,6-trichlorophenyl trans-4-tert-butylcyclohexyl 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.
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