Chemical Properties of Benzene, 1,5-dimethyl-2,4-bis(1-methylethyl)- (CAS 5186-68-5)

InChI

InChI=1S/C14H22/c1-9(2)13-8-14(10(3)4)12(6)7-11(13)5/h7-10H,1-6H3

InChI Key

PUPZFBLFGPJICA-UHFFFAOYSA-N

Formula

C14H22

SMILES

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

Molecular Weight¹

190.32

CAS

5186-68-5

Other Names

• m-Xylene, 4,6-diisopropyl-
• 1,3-Dimethyl-4,6-diisopropylbenzene
• 4,6-Diisopropyl-m-xylene
• 4,6-Diisopropyl-1,3-dimethylbenzene
• 1,5-Dimethyl-2,4-diisopropylbenzene

• 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_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	0.4743		Relay (1.0) Calculated Property
ΔfG°	145.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-126.41	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.84	kJ/mol	Joback Calculated Property
ΔvapH°	66.69	kJ/mol	Relay (1.0) Calculated Property
IE	7.93	eV	Relay (1.0) Calculated Property
log10WS	-5.64		Relay (1.0) Calculated Property
logPoct/wat	4.550		Crippen Calculated Property
McVol	184.360	ml/mol	McGowan Calculated Property
Pc	1957.87	kPa	Joback Calculated Property
Ip	[1551.00; 1579.00]
Ip	1551.00		NIST
Ip	1552.00		NIST
Ip	1559.00		NIST
Ip	1568.00		NIST
Ip	1579.00		NIST
Ip	1551.00		NIST
Tboil	517.52	K	Relay (1.0) Calculated Property
Tc	715.64	K	Relay (1.0) Calculated Property
Tfus	353.55	K	Relay (1.0) Calculated Property
Vc	0.688	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[252.24; 615.03]	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			-4.21000e+00
Coefficient B			1.08832e+00
Coefficient C			-5.74280e-04
Coefficient D			1.05200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	252.24	J/mol×K	273.00	Calculated Property
Cp,gas	313.60	J/mol×K	353.78	Calculated Property
Cp,gas	368.91	J/mol×K	434.56	Calculated Property
Cp,gas	418.52	J/mol×K	515.33	Calculated Property
Cp,gas	462.76	J/mol×K	596.11	Calculated Property
Cp,gas	501.97	J/mol×K	676.89	Calculated Property
Cp,gas	536.46	J/mol×K	757.67	Calculated Property
Cp,gas	566.58	J/mol×K	838.44	Calculated Property
Cp,gas	592.66	J/mol×K	919.22	Calculated Property
Cp,gas	615.03	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0024229; 0.0001673]	Pa×s	[281.52; 536.27]	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			-1.16492e+01
Coefficient B			1.58396e+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.			281.52
Temperature range, max.			536.27
η	0.0024229	Pa×s	281.52	Calculated Property
η	0.0014491	Pa×s	309.83	Calculated Property
η	0.0009446	Pa×s	338.13	Calculated Property
η	0.0006578	Pa×s	366.44	Calculated Property
η	0.0004825	Pa×s	394.74	Calculated Property
η	0.0003689	Pa×s	423.05	Calculated Property
η	0.0002917	Pa×s	451.35	Calculated Property
η	0.0002371	Pa×s	479.66	Calculated Property
η	0.0001973	Pa×s	507.97	Calculated Property
η	0.0001673	Pa×s	536.27	Calculated Property

Similar Compounds

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

Sources

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

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