Chemical Properties of 2-(4-Methylphenyl)-2-(4-hydroxyphenyl)propane

InChI

InChI=1S/C16H18O/c1-12-4-6-13(7-5-12)16(2,3)14-8-10-15(17)11-9-14/h4-11,17H,1-3H3

InChI Key

SZQFXKGNLRDAND-UHFFFAOYSA-N

Formula

C16H18O

SMILES

Cc1ccc(C(C)(C)c2ccc(O)cc2)cc1

Molecular Weight¹

226.31

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• IE : Ionization energy (eV).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6176		Relay (1.0) Calculated Property
ΔfG°	147.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-73.44	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.26	kJ/mol	Joback Calculated Property
ΔvapH°	97.95	kJ/mol	Relay (1.0) Calculated Property
IE	7.84	eV	Relay (1.0) Calculated Property
log10WS	-4.08		Relay (1.0) Calculated Property
logPoct/wat	4.027		Crippen Calculated Property
McVol	194.650	ml/mol	McGowan Calculated Property
Pc	2659.77	kPa	Joback Calculated Property
Inp	[1961.00; 1961.00]
Inp	1961.00		NIST
Inp	1961.00		NIST
Tboil	601.22	K	Relay (1.0) Calculated Property
Tc	867.93	K	Relay (1.0) Calculated Property
Tfus	364.95	K	Relay (1.0) Calculated Property
Vc	0.677	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[248.37; 628.58]	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			-9.85600e+01
Coefficient B			1.58696e+00
Coefficient C			-1.27012e-03
Coefficient D			4.10300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	248.37	J/mol×K	273.00	Calculated Property
Cp,gas	322.07	J/mol×K	353.78	Calculated Property
Cp,gas	384.88	J/mol×K	434.56	Calculated Property
Cp,gas	438.10	J/mol×K	515.33	Calculated Property
Cp,gas	483.02	J/mol×K	596.11	Calculated Property
Cp,gas	520.94	J/mol×K	676.89	Calculated Property
Cp,gas	553.16	J/mol×K	757.67	Calculated Property
Cp,gas	580.98	J/mol×K	838.44	Calculated Property
Cp,gas	605.68	J/mol×K	919.22	Calculated Property
Cp,gas	628.58	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004476; 0.0000159]	Pa×s	[449.58; 668.36]	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			-1.79121e+01
Coefficient B			4.58590e+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.			449.58
Temperature range, max.			668.36
η	0.0004476	Pa×s	449.58	Calculated Property
η	0.0002652	Pa×s	473.89	Calculated Property
η	0.0001654	Pa×s	498.20	Calculated Property
η	0.0001078	Pa×s	522.51	Calculated Property
η	0.0000730	Pa×s	546.82	Calculated Property
η	0.0000511	Pa×s	571.13	Calculated Property
η	0.0000368	Pa×s	595.44	Calculated Property
η	0.0000272	Pa×s	619.75	Calculated Property
η	0.0000206	Pa×s	644.06	Calculated Property
η	0.0000159	Pa×s	668.36	Calculated Property

Similar Compounds

Find more compounds similar to 2-(4-Methylphenyl)-2-(4-hydroxyphenyl)propane.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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