Chemical Properties of Benzene, [2-methyl-1-(1-methylethyl)propyl]-

InChI

InChI=1S/C13H20/c1-10(2)13(11(3)4)12-8-6-5-7-9-12/h5-11,13H,1-4H3

InChI Key

GKGTVJOYFGUPSA-UHFFFAOYSA-N

Formula

C13H20

SMILES

CC(C)C(c1ccccc1)C(C)C

Molecular Weight¹

176.30

Other Names

• Benzene, (1-isopropyl-2-methylpropyl)-
• «alpha»,«alpha»-Diisopropyltoluene
• (1-Isopropyl-2-methylpropyl)benzene
• 2,4-Dimethyl-3-phenylpentane

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_np : Non-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	0.3819		Relay (1.0) Calculated Property
ΔcH°liquid	-7364.00	kJ/mol	NIST
ΔfG°	163.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-49.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.90	kJ/mol	Joback Calculated Property
ΔvapH°	58.86	kJ/mol	Relay (1.0) Calculated Property
IE	8.62	eV	Relay (1.0) Calculated Property
log10WS	-4.83		Relay (1.0) Calculated Property
logPoct/wat	4.082		Crippen Calculated Property
McVol	170.270	ml/mol	McGowan Calculated Property
Pc	2244.00	kPa	Joback Calculated Property
Inp	1212.00		NIST
Tboil	[492.16; 492.16]	K
Tboil	492.16 ± 0.20	K	NIST
Tboil	492.16 ± 0.20	K	NIST
Tc	699.69	K	Relay (1.0) Calculated Property
Tfus	[248.70; 248.70]	K
Tfus	248.70 ± 0.20	K	NIST
Tfus	248.70 ± 0.20	K	NIST
Vc	0.598	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[223.06; 573.10]	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			-4.78800e+01
Coefficient B			1.17768e+00
Coefficient C			-7.24200e-04
Coefficient D			1.67500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	223.06	J/mol×K	273.00	Calculated Property
Cp,gas	285.53	J/mol×K	353.78	Calculated Property
Cp,gas	340.88	J/mol×K	434.56	Calculated Property
Cp,gas	389.62	J/mol×K	515.33	Calculated Property
Cp,gas	432.29	J/mol×K	596.11	Calculated Property
Cp,gas	469.41	J/mol×K	676.89	Calculated Property
Cp,gas	501.53	J/mol×K	757.67	Calculated Property
Cp,gas	529.16	J/mol×K	838.44	Calculated Property
Cp,gas	552.84	J/mol×K	919.22	Calculated Property
Cp,gas	573.10	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0056165; 0.0001729]	Pa×s	[248.70; 512.60]	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			-1.19428e+01
Coefficient B			1.68140e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			248.70
Temperature range, max.			512.60
η	0.0056165	Pa×s	248.70	Calculated Property
η	0.0027529	Pa×s	278.02	Calculated Property
η	0.0015460	Pa×s	307.34	Calculated Property
η	0.0009600	Pa×s	336.67	Calculated Property
η	0.0006434	Pa×s	365.99	Calculated Property
η	0.0004576	Pa×s	395.31	Calculated Property
η	0.0003412	Pa×s	424.63	Calculated Property
η	0.0002642	Pa×s	453.96	Calculated Property
η	0.0002110	Pa×s	483.28	Calculated Property
η	0.0001729	Pa×s	512.60	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, [2-methyl-1-(1-methylethyl)propyl]-.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.