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-

• 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).
• 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
ω	0.4199		Relay (1.0) Calculated Property
ΔfG°	144.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-34.33	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.90	kJ/mol	Joback Calculated Property
ΔvapH°	56.00	kJ/mol	Relay (1.0) Calculated Property
IE	8.44	eV	Relay (1.0) Calculated Property
log10WS	-4.27		Relay (1.0) 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	[1107.30; 1169.00]
Inp	1153.00		NIST
Inp	1142.00		NIST
Inp	1155.00		NIST
Inp	1161.00		NIST
Inp	1169.00		NIST
Inp	1154.80		NIST
Inp	1161.20		NIST
Inp	1168.70		NIST
Inp	1140.00		NIST
Inp	1147.00		NIST
Inp	Outlier 1107.30		NIST
Inp	1146.00		NIST
Inp	1153.00		NIST
Inp	1141.00		NIST
Inp	1161.00		NIST
Inp	1148.00		NIST
Inp	1153.00		NIST
Inp	Outlier 1113.00		NIST
Inp	1165.00		NIST
Inp	1153.00		NIST
Inp	1153.00		NIST
Inp	1154.00		NIST
Inp	1153.00		NIST
Inp	1161.00		NIST
Inp	1154.00		NIST
I	[1395.80; 1396.00]
I	1395.80		NIST
I	1396.00		NIST
I	1396.00		NIST
I	1396.00		NIST
I	1395.80		NIST
Tboil	474.00 ± 8.00	K	NIST
Tc	679.50	K	Relay (1.0) Calculated Property
Tfus	211.05	K	Relay (1.0) Calculated Property
Vc	0.537	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[184.13; 465.26]	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			-2.67170e+01
Coefficient B			9.10440e-01
Coefficient C			-5.38760e-04
Coefficient D			1.20300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	184.13	J/mol×K	273.00	Calculated Property
Cp,gas	233.27	J/mol×K	353.78	Calculated Property
Cp,gas	277.05	J/mol×K	434.56	Calculated Property
Cp,gas	315.85	J/mol×K	515.33	Calculated Property
Cp,gas	350.04	J/mol×K	596.11	Calculated Property
Cp,gas	380.01	J/mol×K	676.89	Calculated Property
Cp,gas	406.14	J/mol×K	757.67	Calculated Property
Cp,gas	428.80	J/mol×K	838.44	Calculated Property
Cp,gas	448.38	J/mol×K	919.22	Calculated Property
Cp,gas	465.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025675; 0.0002125]	Pa×s	[252.67; 480.35]	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			-1.12221e+01
Coefficient B			1.32836e+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.			252.67
Temperature range, max.			480.35
η	0.0025675	Pa×s	252.67	Calculated Property
η	0.0015912	Pa×s	277.97	Calculated Property
η	0.0010681	Pa×s	303.27	Calculated Property
η	0.0007623	Pa×s	328.56	Calculated Property
η	0.0005710	Pa×s	353.86	Calculated Property
η	0.0004445	Pa×s	379.16	Calculated Property
η	0.0003570	Pa×s	404.46	Calculated Property
η	0.0002942	Pa×s	429.75	Calculated Property
η	0.0002478	Pa×s	455.05	Calculated Property
η	0.0002125	Pa×s	480.35	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[356.12; 512.22]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
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

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
These property values are available through the Cheméo API. A free account gives you an access key.