Chemical Properties of Benzene, 1-(1,1-dimethylethyl)-4-ethenyl- (CAS 1746-23-2)

InChI

InChI=1S/C12H16/c1-5-10-6-8-11(9-7-10)12(2,3)4/h5-9H,1H2,2-4H3

InChI Key

QEDJMOONZLUIMC-UHFFFAOYSA-N

Formula

C12H16

SMILES

C=Cc1ccc(C(C)(C)C)cc1

Molecular Weight¹

160.26

CAS

1746-23-2

Other Names

• 1-(1,1-Dimethylethyl)-4-ethenylbenzene
• 4-tert-Butylstyrene
• Styrene, p-tert-butyl-
• p-t-Butylstyrene
• p-tert-Butylstyrene

• ω : Acentric Factor.
• 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).
• 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).
• P_vap : Vapor pressure (kPa).
• 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

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Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[194.07; 489.81]	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			-5.50900e+01
Coefficient B			1.11126e+00
Coefficient C			-7.87860e-04
Coefficient D			2.21500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	194.07	J/mol×K	273.00	Calculated Property
Cp,gas	249.25	J/mol×K	353.78	Calculated Property
Cp,gas	297.21	J/mol×K	434.56	Calculated Property
Cp,gas	338.66	J/mol×K	515.33	Calculated Property
Cp,gas	374.30	J/mol×K	596.11	Calculated Property
Cp,gas	404.82	J/mol×K	676.89	Calculated Property
Cp,gas	430.94	J/mol×K	757.67	Calculated Property
Cp,gas	453.34	J/mol×K	838.44	Calculated Property
Cp,gas	472.73	J/mol×K	919.22	Calculated Property
Cp,gas	489.81	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0071192; 0.0001918]	Pa×s	[235.15; 502.30]	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			-1.17402e+01
Coefficient B			1.59790e+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.			235.15
Temperature range, max.			502.30
η	0.0071192	Pa×s	235.15	Calculated Property
η	0.0033239	Pa×s	264.83	Calculated Property
η	0.0018095	Pa×s	294.52	Calculated Property
η	0.0011011	Pa×s	324.20	Calculated Property
η	0.0007282	Pa×s	353.89	Calculated Property
η	0.0005135	Pa×s	383.57	Calculated Property
η	0.0003807	Pa×s	413.25	Calculated Property
η	0.0002938	Pa×s	442.94	Calculated Property
η	0.0002342	Pa×s	472.62	Calculated Property
η	0.0001918	Pa×s	502.30	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[371.00; 537.92]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.40653e+01
Coefficient B			-4.00725e+03
Coefficient C			-8.01500e+01
Temperature range, min.			371.00
Temperature range, max.			537.92
Pvap	1.33	kPa	371.00	Calculated Property
Pvap	3.04	kPa	389.55	Calculated Property
Pvap	6.33	kPa	408.09	Calculated Property
Pvap	12.18	kPa	426.64	Calculated Property
Pvap	21.93	kPa	445.19	Calculated Property
Pvap	37.28	kPa	463.73	Calculated Property
Pvap	60.36	kPa	482.28	Calculated Property
Pvap	93.65	kPa	500.83	Calculated Property
Pvap	140.02	kPa	519.37	Calculated Property
Pvap	202.65	kPa	537.92	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-(1,1-dimethylethyl)-4-ethenyl-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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