Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, di(4-bromophenyl) ester

InChI

InChI=1S/C20H18Br2O4/c21-13-5-9-15(10-6-13)25-19(23)17-3-1-2-4-18(17)20(24)26-16-11-7-14(22)8-12-16/h5-12,17-18H,1-4H2

InChI Key

XXZPHKWQZIFJGC-UHFFFAOYSA-N

Formula

C20H18Br2O4

SMILES

O=C(Oc1ccc(Br)cc1)C1CCCCC1C(=O)Oc1ccc(Br)cc1

Molecular Weight¹

482.17

• 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).
• IE : Ionization energy (eV).
• 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°	47.07	kJ/mol	Joback Calculated Property
IE	8.40	eV	Relay (1.0) Calculated Property
logPoct/wat	5.529		Crippen Calculated Property
McVol	284.160	ml/mol	McGowan Calculated Property
Inp	[3272.00; 3272.00]
Inp	3272.00		NIST
Inp	3272.00		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, 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	[345.14; 834.11]	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			-4.69700e+01
Coefficient B			1.68940e+00
Coefficient C			-9.71720e-04
Coefficient D			1.63400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	345.14	J/mol×K	273.00	Calculated Property
Cp,gas	436.32	J/mol×K	353.78	Calculated Property
Cp,gas	517.08	J/mol×K	434.56	Calculated Property
Cp,gas	587.94	J/mol×K	515.33	Calculated Property
Cp,gas	649.41	J/mol×K	596.11	Calculated Property
Cp,gas	702.02	J/mol×K	676.89	Calculated Property
Cp,gas	746.28	J/mol×K	757.67	Calculated Property
Cp,gas	782.70	J/mol×K	838.44	Calculated Property
Cp,gas	811.81	J/mol×K	919.22	Calculated Property
Cp,gas	834.11	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003176; 0.0000541]	Pa×s	[600.44; 875.31]	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			-1.36897e+01
Coefficient B			3.38354e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			600.44
Temperature range, max.			875.31
η	0.0003176	Pa×s	600.44	Calculated Property
η	0.0002418	Pa×s	630.98	Calculated Property
η	0.0001888	Pa×s	661.52	Calculated Property
η	0.0001506	Pa×s	692.06	Calculated Property
η	0.0001225	Pa×s	722.60	Calculated Property
η	0.0001013	Pa×s	753.15	Calculated Property
η	0.0000851	Pa×s	783.69	Calculated Property
η	0.0000723	Pa×s	814.23	Calculated Property
η	0.0000622	Pa×s	844.77	Calculated Property
η	0.0000541	Pa×s	875.31	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, di(4-bromophenyl) 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.