Chemical Properties of Benzene, 1,2,4-trimethyl-5-(1-methylethyl)- (CAS 10222-95-4)

InChI

InChI=1S/C12H18/c1-8(2)12-7-10(4)9(3)6-11(12)5/h6-8H,1-5H3

InChI Key

POOXAYBPGIHSME-UHFFFAOYSA-N

Formula

C12H18

SMILES

Cc1cc(C)c(C(C)C)cc1C

Molecular Weight¹

162.27

CAS

10222-95-4

Other Names

• 1,2,4-Trimethyl-5-isopropylbenzene
• 1-Isopropyl-2,4,5-trimethylbenzene
• 2,4,5-Trimethylcumene
• 5-Isopropyl-1,2,4-trimethylbenzene
• 5-Isopropylpseudocumene
• Benzene, 1,2,4-trimethyl-5-isopropyl
• Cumene, 2,4,5-trimethyl-

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4335		Relay (1.0) Calculated Property
ΔfG°	131.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-103.30	kJ/mol	NIST
ΔfusH°	16.19	kJ/mol	Joback Calculated Property
ΔvapH°	[64.85; 64.90]	kJ/mol
ΔvapH°	64.85	kJ/mol	NIST
ΔvapH°	64.90	kJ/mol	NIST
IE	7.97	eV	Relay (1.0) Calculated Property
log10WS	-4.90		Relay (1.0) Calculated Property
logPoct/wat	3.735		Crippen Calculated Property
McVol	156.180	ml/mol	McGowan Calculated Property
Pc	2320.31	kPa	Joback Calculated Property
Inp	[1233.00; 1234.00]
Inp	1233.00		NIST
Inp	1233.00		NIST
Inp	1234.00		NIST
Ip	[1476.60; 1477.00]
Ip	1476.60		NIST
Ip	1477.00		NIST
Ip	1477.00		NIST
Ip	1476.60		NIST
Tboil	495.21	K	Relay (1.0) Calculated Property
Tc	699.87	K	Relay (1.0) Calculated Property
Tfus	294.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[210.13; 511.31]	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			-7.10000e-01
Coefficient B			8.92400e-01
Coefficient C			-4.62280e-04
Coefficient D			8.19000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	210.13	J/mol×K	273.00	Calculated Property
Cp,gas	260.77	J/mol×K	353.78	Calculated Property
Cp,gas	306.51	J/mol×K	434.56	Calculated Property
Cp,gas	347.62	J/mol×K	515.33	Calculated Property
Cp,gas	384.34	J/mol×K	596.11	Calculated Property
Cp,gas	416.94	J/mol×K	676.89	Calculated Property
Cp,gas	445.68	J/mol×K	757.67	Calculated Property
Cp,gas	470.81	J/mol×K	838.44	Calculated Property
Cp,gas	492.60	J/mol×K	919.22	Calculated Property
Cp,gas	511.31	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012804; 0.0001855]	Pa×s	[294.15; 505.86]	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			-1.12767e+01
Coefficient B			1.35782e+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.			294.15
Temperature range, max.			505.86
η	0.0012804	Pa×s	294.15	Calculated Property
η	0.0009097	Pa×s	317.67	Calculated Property
η	0.0006775	Pa×s	341.20	Calculated Property
η	0.0005241	Pa×s	364.72	Calculated Property
η	0.0004183	Pa×s	388.24	Calculated Property
η	0.0003425	Pa×s	411.77	Calculated Property
η	0.0002866	Pa×s	435.29	Calculated Property
η	0.0002443	Pa×s	458.81	Calculated Property
η	0.0002114	Pa×s	482.33	Calculated Property
η	0.0001855	Pa×s	505.86	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[369.82; 524.62]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.47649e+01
Coefficient B			-4.21719e+03
Coefficient C			-7.85240e+01
Temperature range, min.			369.82
Temperature range, max.			524.62
Pvap	1.33	kPa	369.82	Calculated Property
Pvap	2.99	kPa	387.02	Calculated Property
Pvap	6.15	kPa	404.22	Calculated Property
Pvap	11.78	kPa	421.42	Calculated Property
Pvap	21.19	kPa	438.62	Calculated Property
Pvap	36.14	kPa	455.82	Calculated Property
Pvap	58.84	kPa	473.02	Calculated Property
Pvap	91.97	kPa	490.22	Calculated Property
Pvap	138.69	kPa	507.42	Calculated Property
Pvap	202.63	kPa	524.62	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,2,4-trimethyl-5-(1-methylethyl)-.

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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