Chemical Properties of 3,3',5,5'-Tetratert-butyl-2'-(propionyloxy)[1,1'-biphenyl]-2-yl propionate

InChI

InChI=1S/C34H50O4/c1-15-27(35)37-29-23(17-21(31(3,4)5)19-25(29)33(9,10)11)24-18-22(32(6,7)8)20-26(34(12,13)14)30(24)38-28(36)16-2/h17-20H,15-16H2,1-14H3

InChI Key

RUOVIWYDPBGTRX-UHFFFAOYSA-N

Formula

C34H50O4

SMILES

CCC(=O)Oc1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2OC(=O)CC)cc(C(C)(C)C)cc1C(C)(C)C

Molecular Weight¹

522.77

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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).
• 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

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[654.38; 1540.21]	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			-5.71080e+01
Coefficient B			3.11288e+00
Coefficient C			-1.98396e-03
Coefficient D			4.68400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	654.38	J/mol×K	273.00	Calculated Property
Cp,gas	816.59	J/mol×K	353.78	Calculated Property
Cp,gas	959.40	J/mol×K	434.56	Calculated Property
Cp,gas	1084.29	J/mol×K	515.33	Calculated Property
Cp,gas	1192.74	J/mol×K	596.11	Calculated Property
Cp,gas	1286.23	J/mol×K	676.89	Calculated Property
Cp,gas	1366.24	J/mol×K	757.67	Calculated Property
Cp,gas	1434.25	J/mol×K	838.44	Calculated Property
Cp,gas	1491.75	J/mol×K	919.22	Calculated Property
Cp,gas	1540.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000300; 0.0000034]	Pa×s	[695.24; 998.42]	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			-1.76229e+01
Coefficient B			5.01276e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			695.24
Temperature range, max.			998.42
η	0.0000300	Pa×s	695.24	Calculated Property
η	0.0000215	Pa×s	728.93	Calculated Property
η	0.0000159	Pa×s	762.61	Calculated Property
η	0.0000120	Pa×s	796.30	Calculated Property
η	0.0000093	Pa×s	829.99	Calculated Property
η	0.0000074	Pa×s	863.68	Calculated Property
η	0.0000059	Pa×s	897.36	Calculated Property
η	0.0000048	Pa×s	931.05	Calculated Property
η	0.0000040	Pa×s	964.74	Calculated Property
η	0.0000034	Pa×s	998.42	Calculated Property

Similar Compounds

Find more compounds similar to 3,3',5,5'-Tetratert-butyl-2'-(propionyloxy)[1,1'-biphenyl]-2-yl propionate.

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

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