Chemical Properties of Benzene, 1,4-dimethyl-2-(1-methylethyl)- (CAS 4132-72-3)

InChI

InChI=1S/C11H16/c1-8(2)11-7-9(3)5-6-10(11)4/h5-8H,1-4H3

InChI Key

CLSBTDGUHSQYTO-UHFFFAOYSA-N

Formula

C11H16

SMILES

Cc1ccc(C)c(C(C)C)c1

Molecular Weight¹

148.24

CAS

4132-72-3

Other Names

• 1,4-Dimethyl-2-isopropylbenzene
• 2,5-Dimethyl cumene
• 2-Isopropyl-1,4-dimethylbenzene
• 2-Isopropyl-p-xylene
• Cumene, 2,5-dimethyl-
• Isopropyl-p-xylene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I_p : 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	0.4297		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ΔfG°	132.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-56.21	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.99	kJ/mol	Joback Calculated Property
ΔvapH°	55.73	kJ/mol	Relay (1.0) Calculated Property
IE	8.16	eV	Relay (1.0) Calculated Property
log10WS	-4.22		Relay (1.0) Calculated Property
logPoct/wat	3.427		Crippen Calculated Property
McVol	142.090	ml/mol	McGowan Calculated Property
Pc	2629.38	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Inp	[1108.00; 1130.00]
Inp	1108.00		NIST
Inp	1109.00		NIST
Inp	1119.00		NIST
Inp	1119.00		NIST
Inp	1130.00		NIST
Inp	1119.00		NIST
Ip	[1377.00; 1422.00]
Ip	1388.00		NIST
Ip	1388.00		NIST
Ip	1399.00		NIST
Ip	1410.00		NIST
Ip	1422.00		NIST
Ip	1377.00		NIST
Tboil	472.18	K	Relay (1.0) Calculated Property
Tc	668.80	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tfus	469.00 ± 1.00	K	NIST
Vc	0.551	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[186.36; 462.76]	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			-1.41000e+01
Coefficient B			8.56880e-01
Coefficient C			-4.74920e-04
Coefficient D			9.49000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	186.36	J/mol×K	273.00	Calculated Property
Cp,gas	233.81	J/mol×K	353.78	Calculated Property
Cp,gas	276.37	J/mol×K	434.56	Calculated Property
Cp,gas	314.34	J/mol×K	515.33	Calculated Property
Cp,gas	348.04	J/mol×K	596.11	Calculated Property
Cp,gas	377.75	J/mol×K	676.89	Calculated Property
Cp,gas	403.77	J/mol×K	757.67	Calculated Property
Cp,gas	426.42	J/mol×K	838.44	Calculated Property
Cp,gas	445.98	J/mol×K	919.22	Calculated Property
Cp,gas	462.76	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[346.03; 500.17]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.42619e+01
Coefficient B			-3.83738e+03
Coefficient C			-7.14280e+01
Temperature range, min.			346.03
Temperature range, max.			500.17
Pvap	1.33	kPa	346.03	Calculated Property
Pvap	3.03	kPa	363.16	Calculated Property
Pvap	6.28	kPa	380.28	Calculated Property
Pvap	12.06	kPa	397.41	Calculated Property
Pvap	21.71	kPa	414.54	Calculated Property
Pvap	36.95	kPa	431.66	Calculated Property
Pvap	59.91	kPa	448.79	Calculated Property
Pvap	93.17	kPa	465.92	Calculated Property
Pvap	139.65	kPa	483.04	Calculated Property
Pvap	202.66	kPa	500.17	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,4-dimethyl-2-(1-methylethyl)-.

Sources

• PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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