Chemical Properties of Benzene, pentyl- (CAS 538-68-1)

InChI

InChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3

InChI Key

PWATWSYOIIXYMA-UHFFFAOYSA-N

Formula

C11H16

SMILES

CCCCCc1ccccc1

Molecular Weight¹

148.24

CAS

538-68-1

Other Names

• 1-phenyl-n-pentane
• 1-phenylpentane
• Amylbenzene
• Benzene, n-pentyl-
• NSC 73982
• Pentane, 1-phenyl-
• Phenylpentane
• n-amylbenzene
• n-pentylbenzene
• pentylbenzene

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• n₀ : Refractive Index.
• I_np : Non-polar retention indices.
• I_p : 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).
• V_COSTALD : COSTALD Characteristic Volume (m³/kmol).
• ω_SRK : SRK acentric factor.
• Z_c : Critical Compressibility.
• Z_ra : Rackett Parameter.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	[0.4274; 0.4370]
ω	0.4274		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.4370		KDB
ΔfG°	154.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-17.33	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.29	kJ/mol	Joback Calculated Property
ΔvapH°	[55.10; 55.30]	kJ/mol
ΔvapH°	55.10 ± 0.40	kJ/mol	NIST
ΔvapH°	55.30	kJ/mol	NIST
ΔvapH°	55.10	kJ/mol	NIST
IE	8.71	eV	Relay (1.0) Calculated Property
log10WS	[-4.64; -4.64]
log10WS	-4.64		Aq. Solubility Prediction
log10WS	-4.64		Estimated Solubility
logPoct/wat	3.419		Crippen Calculated Property
McVol	142.090	ml/mol	McGowan Calculated Property
Pc	[2600.00; 2604.05]	kPa
Pc	2604.05	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	2600.00	kPa	KDB
Inp	[1110.00; 1178.00]
Inp	1144.00		NIST
Inp	1144.90		NIST
Inp	1146.00		NIST
Inp	1136.00		NIST
Inp	1142.00		NIST
Inp	1147.00		NIST
Inp	1140.00		NIST
Inp	1142.00		NIST
Inp	1145.00		NIST
Inp	1140.50		NIST
Inp	1145.00		NIST
Inp	1151.00		NIST
Inp	1157.00		NIST
Inp	1131.30		NIST
Inp	1136.20		NIST
Inp	1145.30		NIST
Inp	1150.90		NIST
Inp	1157.40		NIST
Inp	1131.30		NIST
Inp	1136.20		NIST
Inp	1133.00		NIST
Inp	1128.58		NIST
Inp	Outlier 1178.00		NIST
Inp	1136.00		NIST
Inp	1135.20		NIST
Inp	1159.00		NIST
Inp	1142.00		NIST
Inp	1143.00		NIST
Inp	1141.00		NIST
Inp	1165.00		NIST
Inp	1148.70		NIST
Inp	1136.00		NIST
Inp	1142.00		NIST
Inp	1163.00		NIST
Inp	1157.00		NIST
Inp	1154.00		NIST
Inp	1146.00		NIST
Inp	1140.90		NIST
Inp	1143.10		NIST
Inp	1167.00		NIST
Inp	1144.00		NIST
Inp	1168.20		NIST
Inp	1157.30		NIST
Inp	1163.50		NIST
Inp	Outlier 1177.00		NIST
Inp	1169.90		NIST
Inp	Outlier 1173.50		NIST
Inp	1150.00		NIST
Inp	1134.00		NIST
Inp	1134.00		NIST
Inp	1138.36		NIST
Inp	1142.28		NIST
Inp	1144.71		NIST
Inp	1155.95		NIST
Inp	1160.10		NIST
Inp	1162.94		NIST
Inp	1141.00		NIST
Inp	1160.10		NIST
Inp	1163.00		NIST
Inp	1145.00		NIST
Inp	1145.00		NIST
Inp	1145.00		NIST
Inp	1151.00		NIST
Inp	1151.00		NIST
Inp	Outlier 1123.00		NIST
Inp	1139.00		NIST
Inp	1142.00		NIST
Inp	1144.00		NIST
Inp	1150.00		NIST
Inp	1145.00		NIST
Inp	1158.00		NIST
Inp	1161.00		NIST
Inp	1167.00		NIST
Inp	1158.00		NIST
Inp	1148.00		NIST
Inp	1144.00		NIST
Inp	1158.00		NIST
Inp	1135.00		NIST
Inp	1164.90		NIST
Inp	1168.00		NIST
Inp	Outlier 1110.00		NIST
Inp	1154.00		NIST
Inp	1162.00		NIST
Inp	1166.00		NIST
Inp	1157.00		NIST
Inp	1143.00		NIST
Inp	1143.00		NIST
Inp	1143.00		NIST
Inp	1135.50		NIST
Inp	1141.00		NIST
Inp	1145.00		NIST
Inp	1146.00		NIST
Inp	1163.00		NIST
Inp	1143.10		NIST
Inp	1163.50		NIST
Inp	1134.00		NIST
Inp	1155.95		NIST
Inp	1150.00		NIST
Inp	1158.00		NIST
Inp	1164.90		NIST
Inp	1160.10		NIST
Inp	1148.70		NIST
Ip	[1376.00; 1470.20]
Ip	1426.00		NIST
Ip	1404.30		NIST
Ip	1459.30		NIST
Ip	1464.80		NIST
Ip	Outlier 1470.20		NIST
Ip	1394.10		NIST
Ip	1376.30		NIST
Ip	1433.30		NIST
Ip	1409.00		NIST
Ip	1416.00		NIST
Ip	1408.00		NIST
Ip	1433.00		NIST
Ip	1414.00		NIST
Ip	1426.00		NIST
Ip	1439.00		NIST
Ip	1453.00		NIST
Ip	1402.00		NIST
Ip	1376.00		NIST
Ip	1421.00		NIST
Ip	1422.00		NIST
Ip	1403.00		NIST
Ip	1419.00		NIST
Ip	1426.00		NIST
Ip	1426.00		NIST
Ip	1426.00		NIST
Ip	1376.00		NIST
Ip	1381.00		NIST
Ip	1409.00		NIST
Tboil	[452.00; 478.60]	K
Tboil	478.60	K	KDB
Tboil	478.60	K	NIST
Tboil	478.35 ± 0.40	K	NIST
Tboil	470.00 ± 5.00	K	NIST
Tboil	478.60 ± 0.40	K	NIST
Tboil	477.40 ± 1.00	K	NIST
Tboil	478.00 ± 2.00	K	NIST
Tboil	478.00 ± 2.00	K	NIST
Tboil	478.00 ± 3.00	K	NIST
Tboil	478.00 ± 3.00	K	NIST
Tboil	471.70 ± 4.00	K	NIST
Tboil	478.50 ± 2.00	K	NIST
Tboil	473.00 ± 4.00	K	NIST
Tboil	473.15 ± 2.00	K	NIST
Tboil	473.15 ± 2.00	K	NIST
Tboil	475.00 ± 5.00	K	NIST
Tboil	475.10 ± 3.00	K	NIST
Tboil	461.00 ± 10.00	K	NIST
Tboil	Outlier 453.00 ± 15.00	K	NIST
Tboil	Outlier 452.00 ± 12.00	K	NIST
Tboil	461.00 ± 10.00	K	NIST
Tboil	461.00 ± 10.00	K	NIST
Tboil	468.00 ± 10.00	K	NIST
Tc	[679.90; 679.90]	K
Tc	679.90	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	679.90	K	KDB
Tfus	[194.90; 198.15]	K
Tfus	198.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	198.00	K	KDB
Tfus	194.90 ± 0.30	K	NIST
Vc	[0.550; 0.550]	m3/kmol
Vc	0.550	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc	0.550	m3/kmol	KDB
VCOSTALD	0.56	m3/kmol	Hankinson and Thomson (1979), COSTALD parameters Compiled value
ωSRK	0.44		Hankinson and Thomson (1979), COSTALD parameters Compiled value
Zc	0.2529610		KDB
Zra	0.25		Hankinson and Thomson (1979), COSTALD parameters Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	41.21	kJ/mol	478.60	KDB
Pvap	[0.02; 0.27]	kPa	[284.50; 323.20]
Pvap	0.02	kPa	284.50	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl-benzenes
Pvap	0.02	kPa	287.50	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl-benzenes
Pvap	0.03	kPa	290.40	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl-benzenes
Pvap	0.03	kPa	293.30	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl-benzenes
Pvap	0.03	kPa	293.40	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl-benzenes
Pvap	0.04	kPa	296.30	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl-benzenes
Pvap	0.05	kPa	298.30	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl-benzenes
Pvap	0.07	kPa	303.20	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl-benzenes
Pvap	0.09	kPa	306.30	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl-benzenes
Pvap	0.10	kPa	308.20	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl-benzenes
Pvap	0.12	kPa	311.20	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl-benzenes
Pvap	0.15	kPa	314.20	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl-benzenes
Pvap	0.18	kPa	317.30	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl-benzenes
Pvap	0.22	kPa	320.30	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl-benzenes
Pvap	0.27	kPa	323.20	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl-benzenes
n0	1.48870		293.10	Extraction of pentylbenzene from high molar mass alkanes (C14 and C17) by N-methyl-2-pyrrolidone

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[181.58; 468.30]	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			-4.10160e+01
Coefficient B			9.69920e-01
Coefficient C			-6.05800e-04
Coefficient D			1.45200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	181.58	J/mol×K	273.00	Calculated Property
Cp,gas	232.73	J/mol×K	353.78	Calculated Property
Cp,gas	277.98	J/mol×K	434.56	Calculated Property
Cp,gas	317.81	J/mol×K	515.33	Calculated Property
Cp,gas	352.65	J/mol×K	596.11	Calculated Property
Cp,gas	382.98	J/mol×K	676.89	Calculated Property
Cp,gas	409.25	J/mol×K	757.67	Calculated Property
Cp,gas	431.92	J/mol×K	838.44	Calculated Property
Cp,gas	451.45	J/mol×K	919.22	Calculated Property
Cp,gas	468.30	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0133859; 0.0002210]	Pa×s	[197.02; 475.93]	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			-1.13161e+01
Coefficient B			1.37962e+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.			197.02
Temperature range, max.			475.93
η	0.0133859	Pa×s	197.02	Calculated Property
η	0.0051677	Pa×s	228.01	Calculated Property
η	0.0025053	Pa×s	259.00	Calculated Property
η	0.0014179	Pa×s	289.99	Calculated Property
η	0.0008957	Pa×s	320.98	Calculated Property
η	0.0006135	Pa×s	351.97	Calculated Property
η	0.0004467	Pa×s	382.96	Calculated Property
η	0.0003411	Pa×s	413.95	Calculated Property
η	0.0002705	Pa×s	444.94	Calculated Property
η	0.0002210	Pa×s	475.93	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[349.54; 510.12]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.48785e+01
Coefficient B			-4.46183e+03
Coefficient C			-4.37410e+01
Temperature range, min.			349.54
Temperature range, max.			510.12
Pvap	1.33	kPa	349.54	Calculated Property
Pvap	2.98	kPa	367.38	Calculated Property
Pvap	6.13	kPa	385.22	Calculated Property
Pvap	11.72	kPa	403.07	Calculated Property
Pvap	21.09	kPa	420.91	Calculated Property
Pvap	35.98	kPa	438.75	Calculated Property
Pvap	58.63	kPa	456.59	Calculated Property
Pvap	91.73	kPa	474.44	Calculated Property
Pvap	138.51	kPa	492.28	Calculated Property
Pvap	202.66	kPa	510.12	Calculated Property
Pvap	[8.25e-07; 2617.20]	kPa	[198.15; 679.90]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			6.28216e+01
Coefficient B			-8.15428e+03
Coefficient C			-6.76421e+00
Coefficient D			2.50375e-06
Coefficient E			0.00000e+00
Temperature range, min.			198.15
Temperature range, max.			679.90
Pvap	8.25e-07	kPa	198.15	Calculated Property
Pvap	1.10e-03	kPa	251.68	Calculated Property
Pvap	0.09	kPa	305.21	Calculated Property
Pvap	1.86	kPa	358.73	Calculated Property
Pvap	15.43	kPa	412.26	Calculated Property
Pvap	73.77	kPa	465.79	Calculated Property
Pvap	245.08	kPa	519.32	Calculated Property
Pvap	633.73	kPa	572.84	Calculated Property
Pvap	1372.72	kPa	626.37	Calculated Property
Pvap	2617.20	kPa	679.90	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, pentyl-.

Mixtures

• 2-Pyrrolidinone, 1-methyl- + Benzene, pentyl- + Tetradecane
• Heptadecane + 2-Pyrrolidinone, 1-methyl- + Benzene, pentyl-

Sources

• KDB Vapor Pressure Data
• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Hankinson and Thomson (1979), COSTALD parameters ChEDL chemicals 1.5.2, from Hankinson, R. W.; Thomson, G. H. A New Correlation for Saturated Densities of Liquids and Their Mixtures. AIChE J. 1979, 25, 653-663.
• PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
• Cheméo Relay (1.0)
• Crippen Method
• Infinite dilution activity coefficients, specific retention volumes and solvation thermodynamics of hydrocarbons in C78H158 branched alkane solvent
• Extraction of pentylbenzene from high molar mass alkanes (C14 and C17) by N-methyl-2-pyrrolidone
• Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl-benzenes
• Activity coefficients at infinite dilution of hydrocarbons, alkylbenzenes, and alcohols in the paramagnetic ionic liquid 1-butyl-3-methyl-imidazolium tetrachloridoferrate(III) using gas liquid chromatography
• Thermodynamic Properties of Mixtures Containing Ionic Liquids. 8. Activity Coefficients at Infinite Dilution of Hydrocarbons, Alcohols, Esters, and Aldehydes in 1-Hexyl-3-methylimidazolium Bis(trifluoromethylsulfonyl) Imide Using Gas-Liquid Chromatography
• Thermodynamic Properties of Mixtures Containing Ionic Liquids. 9. Activity Coefficients at Infinite Dilution of Hydrocarbons, Alcohols, Esters, and Aldehydes in Trimethyl-butylammonium Bis(trifluoromethylsulfonyl) Imide Using Gas-Liquid Chromatography and Static Method
• Experimental Study of Thermodynamic Properties of Mixtures Containing Ionic Liquid 1-Ethyl-3-methylimidazolium Ethyl Sulfate Using Gas-Liquid Chromatography and Transpiration Method
• Paramagnetic Ionic Liquid 1-Butyl-3-methylimidazolium Tetrabromidocobaltate(II): Activity Coefficients at Infinite Dilution of Organic Solutes and Crystal Structure
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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