Chemical Properties of Glutaric acid, 4-chloro-3-methylphenyl 4-biphenyl ester

InChI

InChI=1S/C24H21ClO4/c1-17-16-21(14-15-22(17)25)29-24(27)9-5-8-23(26)28-20-12-10-19(11-13-20)18-6-3-2-4-7-18/h2-4,6-7,10-16H,5,8-9H2,1H3

InChI Key

JQQJDIMEXZMJAT-UHFFFAOYSA-N

Formula

C24H21ClO4

SMILES

Cc1cc(OC(=O)CCCC(=O)Oc2ccc(-c3ccccc3)cc2)ccc1Cl

Molecular Weight¹

408.88

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	51.81	kJ/mol	Joback Calculated Property
logPoct/wat	5.997		Crippen Calculated Property
McVol	304.860	ml/mol	McGowan Calculated Property
Inp	[3433.00; 3433.00]
Inp	3433.00		NIST
Inp	3433.00		NIST
Tboil	742.35	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[396.57; 917.30]	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			-1.40370e+01
Coefficient B			1.76582e+00
Coefficient C			-1.00548e-03
Coefficient D			1.71000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	396.57	J/mol×K	273.00	Calculated Property
Cp,gas	492.40	J/mol×K	353.78	Calculated Property
Cp,gas	577.47	J/mol×K	434.56	Calculated Property
Cp,gas	652.33	J/mol×K	515.33	Calculated Property
Cp,gas	717.51	J/mol×K	596.11	Calculated Property
Cp,gas	773.57	J/mol×K	676.89	Calculated Property
Cp,gas	821.04	J/mol×K	757.67	Calculated Property
Cp,gas	860.45	J/mol×K	838.44	Calculated Property
Cp,gas	892.36	J/mol×K	919.22	Calculated Property
Cp,gas	917.30	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002384; 0.0000365]	Pa×s	[591.64; 870.47]	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			-1.42026e+01
Coefficient B			3.46752e+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.			591.64
Temperature range, max.			870.47
η	0.0002384	Pa×s	591.64	Calculated Property
η	0.0001781	Pa×s	622.62	Calculated Property
η	0.0001368	Pa×s	653.60	Calculated Property
η	0.0001076	Pa×s	684.58	Calculated Property
η	0.0000864	Pa×s	715.56	Calculated Property
η	0.0000706	Pa×s	746.54	Calculated Property
η	0.0000587	Pa×s	777.52	Calculated Property
η	0.0000495	Pa×s	808.50	Calculated Property
η	0.0000422	Pa×s	839.48	Calculated Property
η	0.0000365	Pa×s	870.47	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 4-chloro-3-methylphenyl 4-biphenyl 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.