Chemical Properties of Benzene, 1-(1-methylethyl)-4-(1,1-dimethylethyl)

InChI

InChI=1S/C13H20/c1-10(2)11-6-8-12(9-7-11)13(3,4)5/h6-10H,1-5H3

InChI Key

QLPNXSSDHYYKBS-UHFFFAOYSA-N

Formula

C13H20

SMILES

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

Molecular Weight¹

176.30

• 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).
• 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 : 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
ΔfG°	161.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-100.62	kJ/mol	Joback Calculated Property
ΔfusH°	12.14	kJ/mol	Joback Calculated Property
ΔvapH°	45.79	kJ/mol	Joback Calculated Property
log10WS	-3.97		Crippen Calculated Property
logPoct/wat	4.107		Crippen Calculated Property
McVol	170.270	ml/mol	McGowan Calculated Property
Pc	2218.71	kPa	Joback Calculated Property
I	[1452.00; 1487.00]
I	1460.00		NIST
I	1462.00		NIST
I	1472.00		NIST
I	1487.00		NIST
I	1452.00		NIST
I	1460.00		NIST
Tboil	524.83	K	Joback Calculated Property
Tc	739.67	K	Joback Calculated Property
Tfus	262.63	K	Joback Calculated Property
Vc	0.638	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[396.59; 493.91]	J/mol×K	[524.83; 739.67]
Cp,gas	396.59	J/mol×K	524.83	Joback Calculated Property
Cp,gas	415.56	J/mol×K	560.64	Joback Calculated Property
Cp,gas	433.35	J/mol×K	596.44	Joback Calculated Property
Cp,gas	450.02	J/mol×K	632.25	Joback Calculated Property
Cp,gas	465.63	J/mol×K	668.05	Joback Calculated Property
Cp,gas	480.24	J/mol×K	703.86	Joback Calculated Property
Cp,gas	493.91	J/mol×K	739.67	Joback Calculated Property
η	[0.0001675; 0.0050928]	Pa×s	[262.63; 524.83]
η	0.0050928	Pa×s	262.63	Joback Calculated Property
η	0.0019209	Pa×s	306.33	Joback Calculated Property
η	0.0009242	Pa×s	350.03	Joback Calculated Property
η	0.0005231	Pa×s	393.73	Joback Calculated Property
η	0.0003317	Pa×s	437.43	Joback Calculated Property
η	0.0002285	Pa×s	481.13	Joback Calculated Property
η	0.0001675	Pa×s	524.83	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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