Chemical Properties of p-tert-Butylbenzyl bromide (CAS 18880-00-7)

InChI

InChI=1S/C11H15Br/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7H,8H2,1-3H3

InChI Key

QZNQSIHCDAGZIA-UHFFFAOYSA-N

Formula

C11H15Br

SMILES

CC(C)(C)c1ccc(CBr)cc1

Molecular Weight¹

227.14

CAS

18880-00-7

Other Names

• 1-(bromomethyl)-4-(1,1-dimethylethyl)benzene
• 4-tert-Butylbenzyl bromide
• Benzene, 1-(bromomethyl)-4-(1,1-dimethylethyl)-

• 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_boilr : Boiling point at reduced pressure (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 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[347.24; 426.22]	J/mol×K	[545.67; 778.11]
Cp,gas	347.24	J/mol×K	545.67	Joback Calculated Property
Cp,gas	363.03	J/mol×K	584.41	Joback Calculated Property
Cp,gas	377.66	J/mol×K	623.15	Joback Calculated Property
Cp,gas	391.22	J/mol×K	661.89	Joback Calculated Property
Cp,gas	403.78	J/mol×K	700.63	Joback Calculated Property
Cp,gas	415.42	J/mol×K	739.37	Joback Calculated Property
Cp,gas	426.22	J/mol×K	778.11	Joback Calculated Property
η	[0.0002138; 0.0025782]	Pa×s	[314.89; 545.67]
η	0.0025782	Pa×s	314.89	Joback Calculated Property
η	0.0013584	Pa×s	353.35	Joback Calculated Property
η	0.0008117	Pa×s	391.82	Joback Calculated Property
η	0.0005318	Pa×s	430.28	Joback Calculated Property
η	0.0003734	Pa×s	468.74	Joback Calculated Property
η	0.0002767	Pa×s	507.21	Joback Calculated Property
η	0.0002138	Pa×s	545.67	Joback Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[392.20; 632.04]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.16792e+01
Coefficient B			-3.46290e+03
Coefficient C			-8.82120e+01
Temperature range, min.			392.20
Temperature range, max.			632.04
Pvap	1.33	kPa	392.20	Calculated Property
Pvap	3.34	kPa	418.85	Calculated Property
Pvap	7.29	kPa	445.50	Calculated Property
Pvap	14.29	kPa	472.15	Calculated Property
Pvap	25.66	kPa	498.80	Calculated Property
Pvap	42.91	kPa	525.44	Calculated Property
Pvap	67.63	kPa	552.09	Calculated Property
Pvap	101.46	kPa	578.74	Calculated Property
Pvap	145.97	kPa	605.39	Calculated Property
Pvap	202.66	kPa	632.04	Calculated Property

Similar Compounds

Find more compounds similar to p-tert-Butylbenzyl bromide.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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