Chemical Properties of Benzene, 1-methyl-4-propyl- (CAS 1074-55-1)

InChI

InChI=1S/C10H14/c1-3-4-10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3

InChI Key

JXFVMNFKABWTHD-UHFFFAOYSA-N

Formula

C10H14

SMILES

CCCc1ccc(C)cc1

Molecular Weight¹

134.22

CAS

1074-55-1

Other Names

• 1-Methyl-4-n-propylbenzene
• 1-Methyl-4-propylbenzene
• 4-Propyl-1-methylbenzene
• 4-n-Propyltoluene
• 4-propyltoluene
• P-METHYLPROPYLBENZENE
• P-PROPYLTOLUENE
• Toluene, p-propyl-
• p-n-Propyl toluene

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4020		KDB
ΔcH°liquid	[-5860.86; -5860.40]	kJ/mol
ΔcH°liquid	-5860.86 ± 0.88	kJ/mol	NIST
ΔcH°liquid	-5860.40 ± 2.20	kJ/mol	NIST
ΔfG°	136.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-24.67	kJ/mol	Joback Calculated Property
ΔfH°liquid	[-75.60; -75.10]	kJ/mol
ΔfH°liquid	-75.10 ± 1.00	kJ/mol	NIST
ΔfH°liquid	-75.60 ± 2.10	kJ/mol	NIST
ΔfusH°	15.31	kJ/mol	Joback Calculated Property
ΔvapH°	51.90	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	2845.00	kPa	KDB
Inp	[172.80; 1070.00]
Inp	1046.00		NIST
Inp	1032.00		NIST
Inp	1032.00		NIST
Inp	1046.50		NIST
Inp	1046.00		NIST
Inp	1046.00		NIST
Inp	1046.00		NIST
Inp	1046.00		NIST
Inp	1047.00		NIST
Inp	1047.00		NIST
Inp	1047.00		NIST
Inp	1040.00		NIST
Inp	1038.10		NIST
Inp	1048.00		NIST
Inp	1053.00		NIST
Inp	1058.00		NIST
Inp	1035.90		NIST
Inp	1038.80		NIST
Inp	1047.50		NIST
Inp	1052.60		NIST
Inp	1057.70		NIST
Inp	1035.40		NIST
Inp	1033.00		NIST
Inp	1035.90		NIST
Inp	1038.80		NIST
Inp	1040.00		NIST
Inp	1033.02		NIST
Inp	1035.40		NIST
Inp	1039.30		NIST
Inp	1039.00		NIST
Inp	1044.00		NIST
Inp	1039.00		NIST
Inp	1070.00		NIST
Inp	1046.40		NIST
Inp	1046.00		NIST
Inp	1048.00		NIST
Inp	1038.40		NIST
Inp	1040.00		NIST
Inp	1042.00		NIST
Inp	1036.49		NIST
Inp	1039.82		NIST
Inp	1042.19		NIST
Inp	1052.90		NIST
Inp	1056.46		NIST
Inp	1059.10		NIST
Inp	1039.00		NIST
Inp	1046.00		NIST
Inp	1048.00		NIST
Inp	1053.00		NIST
Inp	1053.00		NIST
Inp	1048.00		NIST
Inp	1047.00		NIST
Inp	1048.00		NIST
Inp	1046.00		NIST
Inp	1056.00		NIST
Inp	1059.00		NIST
Inp	1049.00		NIST
Inp	1061.30		NIST
Inp	1047.00		NIST
Inp	1038.00		NIST
Inp	1046.00		NIST
Inp	1038.00		NIST
Inp	1038.00		NIST
Inp	1046.00		NIST
Inp	1038.00		NIST
Inp	1047.00		NIST
Inp	1046.50		NIST
Inp	1047.00		NIST
Inp	1039.80		NIST
Inp	Outlier 172.80		NIST
Inp	1046.40		NIST
Inp	1046.00		NIST
Inp	1047.00		NIST
Inp	1058.00		NIST
Inp	1057.70		NIST
Inp	1040.00		NIST
Inp	1044.00		NIST
Inp	Outlier 172.80		NIST
I	[1262.00; 1354.00]
I	1262.00		NIST
I	1301.00		NIST
I	1279.90		NIST
I	1296.00		NIST
I	1279.90		NIST
I	1295.00		NIST
I	1297.00		NIST
I	1314.00		NIST
I	1315.00		NIST
I	1326.00		NIST
I	1338.00		NIST
I	Outlier 1354.00		NIST
I	1302.00		NIST
I	1280.00		NIST
I	1301.00		NIST
I	1280.00		NIST
I	1287.50		NIST
I	1262.00		NIST
I	1295.00		NIST
Tboil	456.20	K	KDB
Tc	660.70	K	KDB
Tfus	[208.50; 209.55]	K
Tfus	209.55	K	KDB
Tfus	209.45 ± 0.01	K	NIST
Tfus	209.38 ± 0.20	K	NIST
Tfus	208.95 ± 0.50	K	NIST
Tfus	208.50 ± 0.60	K	NIST
Vc	0.487	m3/kmol	Joback Calculated Property

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	47.60	kJ/mol	411.00	NIST
ρl	859.01	kg/m3	293.10	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[336.32; 486.18]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.45089e+01
Coefficient B			-3.90155e+03
Coefficient C			-6.19770e+01
Temperature range, min.			336.32
Temperature range, max.			486.18
Pvap	1.33	kPa	336.32	Calculated Property
Pvap	3.01	kPa	352.97	Calculated Property
Pvap	6.21	kPa	369.62	Calculated Property
Pvap	11.92	kPa	386.27	Calculated Property
Pvap	21.45	kPa	402.92	Calculated Property
Pvap	36.54	kPa	419.58	Calculated Property
Pvap	59.37	kPa	436.23	Calculated Property
Pvap	92.57	kPa	452.88	Calculated Property
Pvap	139.17	kPa	469.53	Calculated Property
Pvap	202.65	kPa	486.18	Calculated Property
Pvap	[1.33; 203.25]	kPa	[335.15; 487.15]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.04171e+02
Coefficient B			-9.64433e+03
Coefficient C			-1.30610e+01
Coefficient D			7.46048e-06
Temperature range, min.			335.15
Temperature range, max.			487.15
Pvap	1.33	kPa	335.15	Calculated Property
Pvap	3.04	kPa	352.04	Calculated Property
Pvap	6.33	kPa	368.93	Calculated Property
Pvap	12.19	kPa	385.82	Calculated Property
Pvap	21.95	kPa	402.71	Calculated Property
Pvap	37.33	kPa	419.59	Calculated Property
Pvap	60.44	kPa	436.48	Calculated Property
Pvap	93.78	kPa	453.37	Calculated Property
Pvap	140.28	kPa	470.26	Calculated Property
Pvap	203.25	kPa	487.15	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-methyl-4-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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