Chemical Properties of 2-tert-Butyltoluene (CAS 1074-92-6)

InChI

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

InChI Key

AXHVNJGQOJFMHT-UHFFFAOYSA-N

Formula

C11H16

SMILES

Cc1ccccc1C(C)(C)C

Molecular Weight¹

148.24

CAS

1074-92-6

Other Names

• 1-tert-Butyl-2-methylbenzene
• o-tert-Butyltoluene
• Benzene, 1-(1,1-dimethylethyl)-2-methyl-
• Toluene, o-tert-butyl-
• 1-Methyl-2-tert-butylbenzene
• 2-t-Butyltoluene
• o-t-Butyltoluene

• 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_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
ΔfG°	147.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-33.00 ± 2.00	kJ/mol	NIST
ΔfusH°	10.48	kJ/mol	Joback Calculated Property
ΔvapH°	41.72	kJ/mol	Joback Calculated Property
log10WS	-3.26		Crippen Calculated Property
logPoct/wat	3.293		Crippen Calculated Property
McVol	142.090	ml/mol	McGowan Calculated Property
Pc	2659.77	kPa	Joback Calculated Property
Inp	[1088.40; 1127.00]
Inp	Outlier 1088.40		NIST
Inp	1090.90		NIST
Inp	1115.00		NIST
Inp	1122.80		NIST
Inp	1113.40		NIST
Inp	1117.20		NIST
Inp	1115.00		NIST
Inp	1120.00		NIST
Inp	1127.00		NIST
Inp	1113.40		NIST
Inp	1115.00		NIST
Inp	1122.80		NIST
Tboil	[473.00; 473.60]	K
Tboil	473.00	K	NIST
Tboil	473.60 ± 0.50	K	NIST
Tboil	473.60 ± 0.20	K	NIST
Tboil	473.60 ± 0.20	K	NIST
Tc	696.31	K	Joback Calculated Property
Tfus	[222.83; 222.83]	K
Tfus	222.83 ± 0.10	K	NIST
Tfus	222.83 ± 0.15	K	NIST
Vc	0.532	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[303.53; 390.76]	J/mol×K	[479.51; 696.31]
Cp,gas	303.53	J/mol×K	479.51	Joback Calculated Property
Cp,gas	320.58	J/mol×K	515.64	Joback Calculated Property
Cp,gas	336.56	J/mol×K	551.78	Joback Calculated Property
Cp,gas	351.51	J/mol×K	587.91	Joback Calculated Property
Cp,gas	365.49	J/mol×K	624.04	Joback Calculated Property
Cp,gas	378.55	J/mol×K	660.18	Joback Calculated Property
Cp,gas	390.76	J/mol×K	696.31	Joback Calculated Property
η	[0.0002067; 0.0036767]	Pa×s	[255.09; 479.51]
η	0.0036767	Pa×s	255.09	Joback Calculated Property
η	0.0016745	Pa×s	292.49	Joback Calculated Property
η	0.0009115	Pa×s	329.90	Joback Calculated Property
η	0.0005616	Pa×s	367.30	Joback Calculated Property
η	0.0003784	Pa×s	404.70	Joback Calculated Property
η	0.0002726	Pa×s	442.11	Joback Calculated Property
η	0.0002067	Pa×s	479.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-tert-Butyltoluene.

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.