Chemical Properties of Benzene, 1-butyl-2-methyl- (CAS 1595-11-5)

InChI

InChI=1S/C11H16/c1-3-4-8-11-9-6-5-7-10(11)2/h5-7,9H,3-4,8H2,1-2H3

InChI Key

NUJILYKLNKQOOX-UHFFFAOYSA-N

Formula

C11H16

SMILES

CCCCc1ccccc1C

Molecular Weight¹

148.24

CAS

1595-11-5

Other Names

• 1-Butyl-2-methylbenzene
• 1-Methyl-2-butylbenzene
• 1-Methyl-2-n-Butylbenzene
• Toluene, o-butyl-

• 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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• 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°	144.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-45.31	kJ/mol	Joback Calculated Property
ΔfusH°	17.90	kJ/mol	Joback Calculated Property
ΔvapH°	43.02	kJ/mol	Joback Calculated Property
log10WS	-3.59		Crippen Calculated Property
logPoct/wat	3.338		Crippen Calculated Property
McVol	142.090	ml/mol	McGowan Calculated Property
Pc	2608.40	kPa	Joback Calculated Property
Inp	[1154.00; 1161.00]
Inp	1154.00		NIST
Inp	1161.00		NIST
I	[1395.80; 1396.00]
I	1395.80		NIST
I	1396.00		NIST
Tboil	482.74	K	Joback Calculated Property
Tc	685.93	K	Joback Calculated Property
Tfus	252.67	K	Joback Calculated Property
Vc	0.543	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[300.77; 383.12]	J/mol×K	[482.74; 685.93]
Cp,gas	300.77	J/mol×K	482.74	Joback Calculated Property
Cp,gas	316.42	J/mol×K	516.60	Joback Calculated Property
Cp,gas	331.27	J/mol×K	550.47	Joback Calculated Property
Cp,gas	345.33	J/mol×K	584.33	Joback Calculated Property
Cp,gas	358.64	J/mol×K	618.20	Joback Calculated Property
Cp,gas	371.23	J/mol×K	652.06	Joback Calculated Property
Cp,gas	383.12	J/mol×K	685.93	Joback Calculated Property
η	[0.0002096; 0.0025675]	Pa×s	[252.67; 482.74]
η	0.0025675	Pa×s	252.67	Joback Calculated Property
η	0.0012843	Pa×s	291.01	Joback Calculated Property
η	0.0007549	Pa×s	329.36	Joback Calculated Property
η	0.0004957	Pa×s	367.71	Joback Calculated Property
η	0.0003524	Pa×s	406.05	Joback Calculated Property
η	0.0002657	Pa×s	444.39	Joback Calculated Property
η	0.0002096	Pa×s	482.74	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[356.12; 512.22]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.44020e+01
Coefficient B			-3.98664e+03
Coefficient C			-7.36700e+01
Temperature range, min.			356.12
Temperature range, max.			512.22
Pvap	1.33	kPa	356.12	Calculated Property
Pvap	3.02	kPa	373.46	Calculated Property
Pvap	6.24	kPa	390.81	Calculated Property
Pvap	11.98	kPa	408.15	Calculated Property
Pvap	21.56	kPa	425.50	Calculated Property
Pvap	36.71	kPa	442.84	Calculated Property
Pvap	59.60	kPa	460.19	Calculated Property
Pvap	92.82	kPa	477.53	Calculated Property
Pvap	139.37	kPa	494.88	Calculated Property
Pvap	202.65	kPa	512.22	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-butyl-2-methyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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