Chemical Properties of Benzene, 1-methyl-2-propyl- (CAS 1074-17-5)

InChI

InChI=1S/C10H14/c1-3-6-10-8-5-4-7-9(10)2/h4-5,7-8H,3,6H2,1-2H3

InChI Key

YQZBFMJOASEONC-UHFFFAOYSA-N

Formula

C10H14

SMILES

CCCc1ccccc1C

Molecular Weight¹

134.22

CAS

1074-17-5

Other Names

• 1-Methyl-2-n-propylbenzene
• 1-Methyl-2-propylbenzene
• 2-Propyltoluene
• 2-n-Propyltoluene
• O-METHYLPROPYLBENZENE
• O-PROPYLTOLUENE
• Toluene, o-propyl-

• 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_fH°_liquid : Liquid phase 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• ρ_l : Liquid Density (kg/m³).
• 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).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3990		KDB
ΔcH°liquid	[-5863.46; -5862.70]	kJ/mol
ΔcH°liquid	-5863.46 ± 0.88	kJ/mol	NIST
ΔcH°liquid	-5862.70 ± 2.20	kJ/mol	NIST
ΔfG°	136.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-24.67	kJ/mol	Joback Calculated Property
ΔfH°liquid	[-73.30; -72.50]	kJ/mol
ΔfH°liquid	-72.50 ± 1.00	kJ/mol	NIST
ΔfH°liquid	-73.30 ± 2.10	kJ/mol	NIST
ΔfusH°	15.31	kJ/mol	Joback Calculated Property
ΔvapH°	52.70	kJ/mol	NIST
log10WS	-3.17		Crippen Calculated Property
logPoct/wat	2.948		Crippen Calculated Property
McVol	128.000	ml/mol	McGowan Calculated Property
Pc	2964.00	kPa	KDB
Inp	[172.80; 1089.00]
Inp	1056.70		NIST
Inp	1044.00		NIST
Inp	1045.00		NIST
Inp	1059.00		NIST
Inp	1059.00		NIST
Inp	1057.50		NIST
Inp	1057.00		NIST
Inp	1057.00		NIST
Inp	1057.00		NIST
Inp	1058.00		NIST
Inp	1058.00		NIST
Inp	1047.00		NIST
Inp	1048.30		NIST
Inp	1059.00		NIST
Inp	1065.00		NIST
Inp	1073.00		NIST
Inp	1042.00		NIST
Inp	1045.40		NIST
Inp	1059.00		NIST
Inp	1065.40		NIST
Inp	1072.90		NIST
Inp	1045.80		NIST
Inp	1039.40		NIST
Inp	1042.00		NIST
Inp	1045.40		NIST
Inp	1046.00		NIST
Inp	1039.41		NIST
Inp	1069.00		NIST
Inp	1074.00		NIST
Inp	1079.00		NIST
Inp	1073.00		NIST
Inp	1080.00		NIST
Inp	1085.00		NIST
Inp	1089.00		NIST
Inp	1046.00		NIST
Inp	1045.80		NIST
Inp	1046.30		NIST
Inp	1045.00		NIST
Inp	1051.00		NIST
Inp	1050.50		NIST
Inp	1042.00		NIST
Inp	1075.20		NIST
Inp	1050.00		NIST
Inp	1079.00		NIST
Inp	1057.85		NIST
Inp	1057.00		NIST
Inp	1049.00		NIST
Inp	1055.00		NIST
Inp	1058.80		NIST
Inp	1048.90		NIST
Inp	1052.50		NIST
Inp	1052.22		NIST
Inp	1052.67		NIST
Inp	1053.00		NIST
Inp	1050.00		NIST
Inp	1065.00		NIST
Inp	1058.00		NIST
Inp	1059.00		NIST
Inp	1065.00		NIST
Inp	1065.00		NIST
Inp	1035.00		NIST
Inp	1049.00		NIST
Inp	1055.00		NIST
Inp	1060.00		NIST
Inp	1063.00		NIST
Inp	1058.00		NIST
Inp	1065.00		NIST
Inp	1067.00		NIST
Inp	1061.00		NIST
Inp	1054.00		NIST
Inp	1074.10		NIST
Inp	1056.00		NIST
Inp	1049.00		NIST
Inp	1057.00		NIST
Inp	1063.00		NIST
Inp	1048.00		NIST
Inp	1058.00		NIST
Inp	1048.00		NIST
Inp	1048.00		NIST
Inp	1058.00		NIST
Inp	1057.00		NIST
Inp	1046.10		NIST
Inp	1050.00		NIST
Inp	Outlier 172.80		NIST
Inp	1058.80		NIST
Inp	1053.00		NIST
Inp	1057.85		NIST
I	[1299.00; 1384.00]
I	1327.70		NIST
I	1305.40		NIST
I	1321.50		NIST
I	1305.40		NIST
I	1299.00		NIST
I	1330.00		NIST
I	1342.00		NIST
I	1342.00		NIST
I	1355.00		NIST
I	1368.00		NIST
I	Outlier 1384.00		NIST
I	1329.00		NIST
I	1305.00		NIST
I	1328.00		NIST
I	1305.00		NIST
I	1313.00		NIST
I	1328.00		NIST
Tboil	548.20	K	KDB
Tc	672.50	K	KDB
Tfus	[212.71; 212.95]	K
Tfus	212.95	K	KDB
Tfus	212.84 ± 0.01	K	NIST
Tfus	212.71 ± 0.20	K	NIST
Vc	0.490	m3/kmol	KDB
Zc	0.2596380		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[257.29; 334.39]	J/mol×K	[459.86; 665.78]
Cp,gas	257.29	J/mol×K	459.86	Joback Calculated Property
Cp,gas	271.96	J/mol×K	494.18	Joback Calculated Property
Cp,gas	285.87	J/mol×K	528.50	Joback Calculated Property
Cp,gas	299.03	J/mol×K	562.82	Joback Calculated Property
Cp,gas	311.49	J/mol×K	597.14	Joback Calculated Property
Cp,gas	323.27	J/mol×K	631.46	Joback Calculated Property
Cp,gas	334.39	J/mol×K	665.78	Joback Calculated Property
η	[0.0002163; 0.0024545]	Pa×s	[241.40; 459.86]
η	0.0024545	Pa×s	241.40	Joback Calculated Property
η	0.0012559	Pa×s	277.81	Joback Calculated Property
η	0.0007506	Pa×s	314.22	Joback Calculated Property
η	0.0004992	Pa×s	350.63	Joback Calculated Property
η	0.0003585	Pa×s	387.04	Joback Calculated Property
η	0.0002725	Pa×s	423.45	Joback Calculated Property
η	0.0002163	Pa×s	459.86	Joback Calculated Property
ΔvapH	48.00	kJ/mol	412.50	NIST
ρl	872.44	kg/m3	293.10	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[337.99; 487.68]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.44694e+01
Coefficient B			-3.86967e+03
Coefficient C			-6.51320e+01
Temperature range, min.			337.99
Temperature range, max.			487.68
Pvap	1.33	kPa	337.99	Calculated Property
Pvap	3.01	kPa	354.62	Calculated Property
Pvap	6.22	kPa	371.25	Calculated Property
Pvap	11.94	kPa	387.89	Calculated Property
Pvap	21.49	kPa	404.52	Calculated Property
Pvap	36.60	kPa	421.15	Calculated Property
Pvap	59.45	kPa	437.78	Calculated Property
Pvap	92.65	kPa	454.42	Calculated Property
Pvap	139.24	kPa	471.05	Calculated Property
Pvap	202.64	kPa	487.68	Calculated Property
Pvap	[1.36; 201.38]	kPa	[337.15; 488.15]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.06243e+02
Coefficient B			-9.80205e+03
Coefficient C			-1.33532e+01
Coefficient D			7.58129e-06
Temperature range, min.			337.15
Temperature range, max.			488.15
Pvap	1.36	kPa	337.15	Calculated Property
Pvap	3.09	kPa	353.93	Calculated Property
Pvap	6.38	kPa	370.71	Calculated Property
Pvap	12.23	kPa	387.48	Calculated Property
Pvap	21.95	kPa	404.26	Calculated Property
Pvap	37.22	kPa	421.04	Calculated Property
Pvap	60.13	kPa	437.82	Calculated Property
Pvap	93.14	kPa	454.59	Calculated Property
Pvap	139.13	kPa	471.37	Calculated Property
Pvap	201.38	kPa	488.15	Calculated Property

Similar Compounds

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

Sources

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

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