Chemical Properties of 4, 4'-Isopropylidenebis (2-isopropylphenol) (CAS 127-54-8)

InChI

InChI=1S/C21H28O2/c1-13(2)17-11-15(7-9-19(17)22)21(5,6)16-8-10-20(23)18(12-16)14(3)4/h7-14,22-23H,1-6H3

InChI Key

IJWIRZQYWANBMP-UHFFFAOYSA-N

Formula

C21H28O2

SMILES

CC(C)c1cc(C(C)(C)c2ccc(O)c(C(C)C)c2)ccc1O

Molecular Weight¹

312.45

CAS

127-54-8

• 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).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical 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 Volume, 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	[373.25; 906.99]	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			-1.01090e+02
Coefficient B			2.16892e+00
Coefficient C			-1.73784e-03
Coefficient D			5.77000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	373.25	J/mol×K	273.00	Calculated Property
Cp,gas	474.27	J/mol×K	353.78	Calculated Property
Cp,gas	560.60	J/mol×K	434.56	Calculated Property
Cp,gas	634.08	J/mol×K	515.33	Calculated Property
Cp,gas	696.51	J/mol×K	596.11	Calculated Property
Cp,gas	749.74	J/mol×K	676.89	Calculated Property
Cp,gas	795.57	J/mol×K	757.67	Calculated Property
Cp,gas	835.84	J/mol×K	838.44	Calculated Property
Cp,gas	872.37	J/mol×K	919.22	Calculated Property
Cp,gas	906.99	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000075; 0.0000003]	Pa×s	[600.17; 801.96]	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			-2.44585e+01
Coefficient B			7.59386e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			600.17
Temperature range, max.			801.96
η	0.0000075	Pa×s	600.17	Calculated Property
η	0.0000047	Pa×s	622.59	Calculated Property
η	0.0000031	Pa×s	645.01	Calculated Property
η	0.0000021	Pa×s	667.43	Calculated Property
η	0.0000014	Pa×s	689.85	Calculated Property
η	0.0000010	Pa×s	712.27	Calculated Property
η	0.0000007	Pa×s	734.69	Calculated Property
η	0.0000005	Pa×s	757.12	Calculated Property
η	0.0000004	Pa×s	779.54	Calculated Property
η	0.0000003	Pa×s	801.96	Calculated Property

Similar Compounds

Find more compounds similar to 4, 4'-Isopropylidenebis (2-isopropylphenol).

Sources

• Cheméo Relay (1.0)
• 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.