Chemical Properties of Benzene, (1-methylpropyl)- (CAS 135-98-8)

InChI

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

InChI Key

ZJMWRROPUADPEA-UHFFFAOYSA-N

Formula

C10H14

SMILES

CCC(C)c1ccccc1

Molecular Weight¹

134.22

CAS

135-98-8

Other Names

• (1-methylpropyl)benzene
• 1-METHYL-PROPYLBENZENE
• 2-phenylbutane
• Benzene, sec-butyl-
• Secondary butylbenzene
• UN 2709
• butan-2-ylbenzene
• s-Butylbenzene
• sec-butylbenzene
• «alpha»-methylpropylbenzene

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• C_sat : Molar heat capacity at saturation pressure (J/mol×K).
• μ : Dipole Moment (debye).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_c,grossH : Heat of Combustion, Gross form (kJ/mol).
• Δ_c,netH : Heat of Combustion, Net Form (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).
• 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_triple : Triple Point Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• γ : Surface Tension (N/m).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• λ_gas : Gas thermal conductivity (W/m×K).
• λ_liquid : Liquid thermal conductivity (W/m×K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• U_Qi : UNIQUAC Qi Parameter.
• U_Ri : UNIQUAC Ri Parameter.
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• Z_ra : Rackett Parameter.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	[0.2736; 0.2971]
ω	0.2971		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.2736		Passut and Danner (1973), critical constants and acentric factors Compiled value
ω	0.2791		ChemSep v8.3 pure component data Compiled value
ω	0.2740		KDB
ΔcH°liquid	-5869.50 ± 1.10	kJ/mol	NIST
μ	[0.39; 0.40]	debye
μ	0.39	debye	ChemSep v8.3 pure component data Compiled value
μ	0.40	debye	KDB
ΔfG°	145.23	kJ/mol	ChemSep v8.3 pure component data Compiled value
Δc,grossH	5877.68	kJ/mol	KDB
Δc,netH	5570.160	kJ/mol	KDB
ΔfH°gas	[-17.46; -17.30]	kJ/mol
ΔfH°gas	-17.30	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	-17.46	kJ/mol	KDB
ΔfH°gas	-17.40 ± 1.40	kJ/mol	NIST
ΔfH°liquid	-66.00 ± 1.00	kJ/mol	NIST
ΔfusH°	12.17	kJ/mol	Joback Calculated Property
ΔvapH°	[47.99; 49.50]	kJ/mol
ΔvapH°	47.99	kJ/mol	NIST
ΔvapH°	48.10	kJ/mol	NIST
ΔvapH°	49.50	kJ/mol	NIST
ΔvapH°	48.60	kJ/mol	NIST
IE	[8.66; 8.68]	eV
IE	8.68 ± 0.01	eV	NIST
IE	8.68	eV	NIST
IE	8.68 ± 0.01	eV	NIST
IE	8.68 ± 0.01	eV	NIST
IE	8.66 ± 0.05	eV	NIST
log10WS	-3.89		Aq. Solubility Prediction
logPoct/wat	3.200		Crippen Calculated Property
McVol	128.000	ml/mol	McGowan Calculated Property
Pc	[2930.00; 2950.96]	kPa
Pc	2948.56	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	2950.96	kPa	Passut and Danner (1973), critical constants and acentric factors Compiled value
Pc	2930.00	kPa	ChemSep v8.3 pure component data Compiled value
Pc	2940.00	kPa	KDB
Ptriple	1.81e-06	kPa	ChemSep v8.3 pure component data Compiled value
Inp	[983.00; 1020.00]
Inp	997.00		NIST
Inp	998.00		NIST
Inp	1004.90		NIST
Inp	1010.90		NIST
Inp	1004.00		NIST
Inp	1005.00		NIST
Inp	1005.00		NIST
Inp	1006.00		NIST
Inp	1004.00		NIST
Inp	1006.00		NIST
Inp	1004.00		NIST
Inp	1007.00		NIST
Inp	1000.00		NIST
Inp	990.00		NIST
Inp	987.00		NIST
Inp	992.80		NIST
Inp	993.30		NIST
Inp	997.00		NIST
Inp	1017.00		NIST
Inp	1000.00		NIST
Inp	1006.00		NIST
Inp	1012.00		NIST
Inp	Outlier 1019.00		NIST
Inp	986.40		NIST
Inp	989.10		NIST
Inp	1005.70		NIST
Inp	1011.90		NIST
Inp	Outlier 1019.20		NIST
Inp	986.40		NIST
Inp	986.40		NIST
Inp	989.10		NIST
Inp	990.00		NIST
Inp	983.15		NIST
Inp	1015.00		NIST
Inp	993.10		NIST
Inp	993.10		NIST
Inp	989.80		NIST
Inp	995.00		NIST
Inp	1010.00		NIST
Inp	997.90		NIST
Inp	995.00		NIST
Inp	1014.00		NIST
Inp	1006.40		NIST
Inp	1008.90		NIST
Inp	1011.70		NIST
Inp	992.10		NIST
Inp	994.10		NIST
Inp	994.70		NIST
Inp	999.10		NIST
Inp	1006.40		NIST
Inp	1008.90		NIST
Inp	1011.70		NIST
Inp	996.50		NIST
Inp	996.78		NIST
Inp	997.00		NIST
Inp	1006.00		NIST
Inp	995.00		NIST
Inp	983.00		NIST
Inp	994.00		NIST
Inp	998.00		NIST
Inp	984.00		NIST
Inp	997.00		NIST
Inp	1000.00		NIST
Inp	997.00		NIST
Inp	996.00		NIST
Inp	1015.20		NIST
Inp	997.00		NIST
Inp	994.00		NIST
Inp	997.00		NIST
Inp	1011.00		NIST
Inp	997.00		NIST
Inp	1006.00		NIST
Inp	993.00		NIST
Inp	998.00		NIST
Inp	1006.00		NIST
Inp	997.00		NIST
Inp	995.00		NIST
Inp	994.00		NIST
Inp	1005.00		NIST
Inp	1012.00		NIST
Inp	1008.70		NIST
Inp	1010.70		NIST
Inp	990.00		NIST
Inp	993.00		NIST
Inp	996.00		NIST
Inp	1002.00		NIST
Inp	Outlier 1020.00		NIST
Inp	994.00		NIST
Inp	997.90		NIST
Inp	1011.00		NIST
Inp	1006.00		NIST
Inp	1012.00		NIST
Inp	996.00		NIST
Inp	983.00		NIST
Inp	997.00		NIST
Inp	1005.00		NIST
Inp	1004.00		NIST
Inp	992.80		NIST
Inp	1005.70		NIST
Inp	989.10		NIST
Inp	993.10		NIST
Inp	1014.00		NIST
Inp	994.10		NIST
Inp	1011.70		NIST
Inp	995.00		NIST
Ip	[1224.00; 1312.00]
Ip	1248.10		NIST
Ip	1241.70		NIST
Ip	1227.20		NIST
Ip	1259.00		NIST
Ip	Outlier 1312.00		NIST
Ip	1260.00		NIST
Ip	1262.00		NIST
Ip	1273.00		NIST
Ip	1287.00		NIST
Ip	1298.00		NIST
Ip	1250.00		NIST
Ip	1227.00		NIST
Ip	1311.00		NIST
Ip	1224.00		NIST
Ip	1248.00		NIST
Ip	1227.00		NIST
Ip	1248.00		NIST
Ip	1235.00		NIST
Ip	1311.00		NIST
Ip	1248.10		NIST
Ip	1260.00		NIST
Ip	1250.00		NIST
Ip	1259.00		NIST
Ip	1248.00		NIST
Tboil	[443.20; 452.45]	K
Tboil	446.48	K	ChemSep v8.3 pure component data Compiled value
Tboil	446.50	K	KDB
Tboil	446.70	K	NIST
Tboil	446.00	K	NIST
Tboil	446.46 ± 0.30	K	NIST
Tboil	446.50 ± 1.00	K	NIST
Tboil	445.00 ± 1.00	K	NIST
Tboil	446.00 ± 2.00	K	NIST
Tboil	446.50 ± 1.00	K	NIST
Tboil	446.40 ± 0.50	K	NIST
Tboil	446.32 ± 0.30	K	NIST
Tboil	444.20 ± 2.00	K	NIST
Tboil	448.60 ± 1.00	K	NIST
Tboil	446.45 ± 0.20	K	NIST
Tboil	446.45 ± 0.03	K	NIST
Tboil	446.45 ± 0.30	K	NIST
Tboil	446.45 ± 0.30	K	NIST
Tboil	446.45 ± 0.05	K	NIST
Tboil	446.00 ± 3.00	K	NIST
Tboil	445.20 ± 3.00	K	NIST
Tboil	446.30 ± 0.15	K	NIST
Tboil	446.44 ± 0.10	K	NIST
Tboil	446.41 ± 0.15	K	NIST
Tboil	446.60 ± 0.40	K	NIST
Tboil	446.37 ± 0.40	K	NIST
Tboil	446.45 ± 0.30	K	NIST
Tboil	446.45 ± 0.30	K	NIST
Tboil	446.40 ± 0.30	K	NIST
Tboil	446.45 ± 0.30	K	NIST
Tboil	Outlier 452.43 ± 0.20	K	NIST
Tboil	Outlier 452.45 ± 0.30	K	NIST
Tboil	447.00 ± 2.00	K	NIST
Tboil	446.41 ± 0.30	K	NIST
Tboil	448.00 ± 0.80	K	NIST
Tboil	446.00 ± 2.00	K	NIST
Tboil	446.34 ± 0.40	K	NIST
Tboil	444.00 ± 3.00	K	NIST
Tboil	444.00 ± 3.00	K	NIST
Tboil	446.00 ± 4.00	K	NIST
Tboil	443.65 ± 2.00	K	NIST
Tboil	447.00 ± 2.00	K	NIST
Tboil	446.00 ± 2.00	K	NIST
Tboil	443.20 ± 3.00	K	NIST
Tboil	445.70 ± 0.50	K	NIST
Tboil	446.00 ± 3.00	K	NIST
Tc	[653.00; 664.54]	K
Tc	653.00	K	DIPPR Project 851 - Thirty Years of Vapor-Liquid Critical Point Measurements and Experimental Technique Development
Tc	664.00	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	664.54	K	Passut and Danner (1973), critical constants and acentric factors Compiled value
Tc	664.54	K	ChemSep v8.3 pure component data Compiled value
Tc	664.00	K	KDB
Tfus	[197.00; 202.12]	K
Tfus	198.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	197.72	K	ChemSep v8.3 pure component data Compiled value
Tfus	197.70	K	KDB
Tfus	Outlier 202.12	K	Aq. Solubility Prediction
Tfus	197.85 ± 0.20	K	NIST
Tfus	199.76 ± 0.20	K	NIST
Tfus	197.68 ± 0.04	K	NIST
Tfus	197.46 ± 0.10	K	NIST
Tfus	197.00 ± 0.70	K	NIST
Ttriple	197.72	K	ChemSep v8.3 pure component data Compiled value
UQi	4.58		ChemSep v8.3 pure component data Compiled value
URi	5.95		ChemSep v8.3 pure component data Compiled value
Vc	[0.474; 0.478]	m3/kmol
Vc	0.474	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc	0.478	m3/kmol	ChemSep v8.3 pure component data Compiled value
Zc	0.2650000		ChemSep v8.3 pure component data Compiled value
Zra	0.27		ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	241.70	J/mol×K	293.74	NIST
Csat	[240.70; 304.60]	J/mol×K	[290.00; 430.00]
Csat	240.70	J/mol×K	290.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	243.60	J/mol×K	298.15	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	244.30	J/mol×K	300.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	248.10	J/mol×K	310.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	252.00	J/mol×K	320.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	256.10	J/mol×K	330.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	258.50	J/mol×K	332.20	Saturated Heat Capacities of Some Linear and Branched Alkylbenzenes between (332 and 401) K
Csat	260.30	J/mol×K	340.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	262.60	J/mol×K	342.10	Saturated Heat Capacities of Some Linear and Branched Alkylbenzenes between (332 and 401) K
Csat	264.60	J/mol×K	350.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	267.90	J/mol×K	354.90	Saturated Heat Capacities of Some Linear and Branched Alkylbenzenes between (332 and 401) K
Csat	269.10	J/mol×K	360.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	272.50	J/mol×K	361.80	Saturated Heat Capacities of Some Linear and Branched Alkylbenzenes between (332 and 401) K
Csat	273.80	J/mol×K	370.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	277.50	J/mol×K	371.60	Saturated Heat Capacities of Some Linear and Branched Alkylbenzenes between (332 and 401) K
Csat	278.50	J/mol×K	380.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	282.40	J/mol×K	381.50	Saturated Heat Capacities of Some Linear and Branched Alkylbenzenes between (332 and 401) K
Csat	283.50	J/mol×K	390.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	287.30	J/mol×K	391.40	Saturated Heat Capacities of Some Linear and Branched Alkylbenzenes between (332 and 401) K
Csat	288.50	J/mol×K	400.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	292.10	J/mol×K	401.30	Saturated Heat Capacities of Some Linear and Branched Alkylbenzenes between (332 and 401) K
Csat	293.70	J/mol×K	410.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	299.10	J/mol×K	420.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	304.60	J/mol×K	430.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
ΔvapH	[37.80; 50.60]	kJ/mol	[308.00; 416.00]
ΔvapH	50.60	kJ/mol	308.00	NIST
ΔvapH	44.00	kJ/mol	408.00	NIST
ΔvapH	45.70 ± 0.20	kJ/mol	413.00	NIST
ΔvapH	43.20 ± 0.20	kJ/mol	413.00	NIST
ΔvapH	40.60 ± 0.30	kJ/mol	413.00	NIST
ΔvapH	37.80 ± 0.50	kJ/mol	413.00	NIST
ΔvapH	42.80	kJ/mol	416.00	NIST
n0	[1.48779; 1.48900]		[293.10; 298.15]
n0	1.48900		293.10	Phase equilibria for the extraction of sec-butylbenzene from dodecane with N,N-dimethylformamide
n0	1.48779		298.15	KDB
ρl	[837.48; 862.00]	kg/m3	[293.00; 323.15]
ρl	862.00	kg/m3	293.00	KDB
ρl	861.95	kg/m3	293.15	Densities, speeds of sound, refractive indices, viscosities and their related thermodynamic properties for n-hexadecane + two aromatic hydrocarbons binary mixtures at temperatures from 298.15 K to 318.15 K
ρl	857.95	kg/m3	298.15	Thermodynamic study of 1,1,2,2-tetrachloroethane + hydrocarbon mixtures I. Excess and solvation enthalpies
ρl	857.89	kg/m3	298.15	Densities, speeds of sound, refractive indices, viscosities and their related thermodynamic properties for n-hexadecane + two aromatic hydrocarbons binary mixtures at temperatures from 298.15 K to 318.15 K
ρl	849.78	kg/m3	308.15	Densities, speeds of sound, refractive indices, viscosities and their related thermodynamic properties for n-hexadecane + two aromatic hydrocarbons binary mixtures at temperatures from 298.15 K to 318.15 K
ρl	841.64	kg/m3	318.15	Densities, speeds of sound, refractive indices, viscosities and their related thermodynamic properties for n-hexadecane + two aromatic hydrocarbons binary mixtures at temperatures from 298.15 K to 318.15 K
ρl	837.48	kg/m3	323.15	Densities, speeds of sound, refractive indices, viscosities and their related thermodynamic properties for n-hexadecane + two aromatic hydrocarbons binary mixtures at temperatures from 298.15 K to 318.15 K

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[135.18; 478.00]	J/mol×K	[200.00; 1500.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.18430e+02
Coefficient B			-7.84790e+02
Coefficient C			6.83724e+00
Coefficient D			-5.01990e-04
Coefficient E			1.43930e-07
Temperature range, min.			200.00
Temperature range, max.			1500.00
Cp,gas	135.18	J/mol×K	200.00	Calculated Property
Cp,gas	200.12	J/mol×K	344.44	Calculated Property
Cp,gas	269.99	J/mol×K	488.89	Calculated Property
Cp,gas	326.51	J/mol×K	633.33	Calculated Property
Cp,gas	369.28	J/mol×K	777.78	Calculated Property
Cp,gas	401.51	J/mol×K	922.22	Calculated Property
Cp,gas	426.34	J/mol×K	1066.67	Calculated Property
Cp,gas	446.23	J/mol×K	1211.11	Calculated Property
Cp,gas	463.00	J/mol×K	1355.56	Calculated Property
Cp,gas	478.00	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[178.35; 359.28]	J/mol×K	[197.72; 498.40]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,liquid in J/mol×K, T in K
Coefficient A			1.63140e+02
Coefficient B			-1.79470e+03
Coefficient C			1.64772e+01
Coefficient D			-2.91990e-02
Coefficient E			2.80000e-05
Temperature range, min.			197.72
Temperature range, max.			498.40
Cp,liquid	178.35	J/mol×K	197.72	Calculated Property
Cp,liquid	194.94	J/mol×K	231.13	Calculated Property
Cp,liquid	213.95	J/mol×K	264.54	Calculated Property
Cp,liquid	232.52	J/mol×K	297.95	Calculated Property
Cp,liquid	249.63	J/mol×K	331.36	Calculated Property
Cp,liquid	265.84	J/mol×K	364.76	Calculated Property
Cp,liquid	282.58	J/mol×K	398.17	Calculated Property
Cp,liquid	301.86	J/mol×K	431.58	Calculated Property
Cp,liquid	326.24	J/mol×K	464.99	Calculated Property
Cp,liquid	359.28	J/mol×K	498.40	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[61.2594103; 0.0001770]	Pa×s	[161.30; 550.00]	ChemSep v8.3 pure component data Compiled value
Equation			ln(Y) = A + B/(T + C) Y is η in Pa×s, T in K
Coefficient A			-9.69565e+00
Coefficient B			4.44593e+02
Coefficient C			-1.29108e+02
Temperature range, min.			161.30
Temperature range, max.			550.00
η	61.2594103	Pa×s	161.30	Calculated Property
η	0.0224229	Pa×s	204.49	Calculated Property
η	0.0026163	Pa×s	247.68	Calculated Property
η	0.0009614	Pa×s	290.87	Calculated Property
η	0.0005387	Pa×s	334.06	Calculated Property
η	0.0003693	Pa×s	377.24	Calculated Property
η	0.0002831	Pa×s	420.43	Calculated Property
η	0.0002325	Pa×s	463.62	Calculated Property
η	0.0001997	Pa×s	506.81	Calculated Property
η	0.0001770	Pa×s	550.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[53.28; 0.00]	kJ/mol	[197.72; 664.54]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is ΔvapH in kJ/mol, T in K
Coefficient A			3.17930e+01
Coefficient B			-4.15630e+00
Coefficient C			1.25910e+01
Coefficient D			-1.34490e+01
Coefficient E			5.25880e+00
Critical temperature, Tc (K)			6.64540e+02
Temperature range, min.			197.72
Temperature range, max.			664.54
ΔvapH	53.28	kJ/mol	197.72	Calculated Property
ΔvapH	52.03	kJ/mol	249.59	Calculated Property
ΔvapH	49.17	kJ/mol	301.46	Calculated Property
ΔvapH	45.53	kJ/mol	353.33	Calculated Property
ΔvapH	41.65	kJ/mol	405.20	Calculated Property
ΔvapH	37.75	kJ/mol	457.06	Calculated Property
ΔvapH	33.67	kJ/mol	508.93	Calculated Property
ΔvapH	28.88	kJ/mol	560.80	Calculated Property
ΔvapH	22.16	kJ/mol	612.67	Calculated Property
ΔvapH	0.00	kJ/mol	664.54	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[329.18; 487.90]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.36653e+01
Coefficient B			-3.53055e+03
Coefficient C			-6.52710e+01
Temperature range, min.			329.18
Temperature range, max.			487.90
Pvap	1.33	kPa	329.18	Calculated Property
Pvap	3.08	kPa	346.82	Calculated Property
Pvap	6.45	kPa	364.45	Calculated Property
Pvap	12.45	kPa	382.09	Calculated Property
Pvap	22.40	kPa	399.72	Calculated Property
Pvap	38.01	kPa	417.36	Calculated Property
Pvap	61.32	kPa	434.99	Calculated Property
Pvap	94.72	kPa	452.63	Calculated Property
Pvap	140.86	kPa	470.26	Calculated Property
Pvap	202.66	kPa	487.90	Calculated Property
Pvap	[8.74e-07; 2930.00]	kPa	[197.72; 608.60]	ChemSep v8.3 pure component data Compiled value
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is Pvap in kPa, T in K
Coefficient A			2.15325e+02
Coefficient B			-1.38549e+04
Coefficient C			-3.03070e+01
Coefficient D			2.62583e-05
Coefficient E			2.00000e+00
Comment			Range stopped where the equation exceeds Pc; ChemSep gives it to 664.54 K.
Temperature range, min.			197.72
Temperature range, max.			608.60
Pvap	8.74e-07	kPa	197.72	Calculated Property
Pvap	1.40e-03	kPa	243.37	Calculated Property
Pvap	0.12	kPa	289.03	Calculated Property
Pvap	1.99	kPa	334.68	Calculated Property
Pvap	14.01	kPa	380.33	Calculated Property
Pvap	58.84	kPa	425.99	Calculated Property
Pvap	183.77	kPa	471.64	Calculated Property
Pvap	488.60	kPa	517.30	Calculated Property
Pvap	1206.37	kPa	562.95	Calculated Property
Pvap	2930.00	kPa	608.60	Calculated Property
Pvap	[3.03e-06; 2983.03]	kPa	[197.72; 664.54]	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			1.04720e+02
Coefficient B			-9.56288e+03
Coefficient C			-1.31111e+01
Coefficient D			6.52492e-06
Coefficient E			0.00000e+00
Temperature range, min.			197.72
Temperature range, max.			664.54
Pvap	3.03e-06	kPa	197.72	Calculated Property
Pvap	3.85e-03	kPa	249.59	Calculated Property
Pvap	0.28	kPa	301.46	Calculated Property
Pvap	4.67	kPa	353.33	Calculated Property
Pvap	32.02	kPa	405.20	Calculated Property
Pvap	128.67	kPa	457.06	Calculated Property
Pvap	367.67	kPa	508.93	Calculated Property
Pvap	841.07	kPa	560.80	Calculated Property
Pvap	1661.80	kPa	612.67	Calculated Property
Pvap	2983.03	kPa	664.54	Calculated Property
Pvap	[6.39; 104.00]	kPa	[360.27; 447.51]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.39902e+01
Coefficient B			-3.54638e+03
Coefficient C			-6.80490e+01
Reference			Forziati, Norris, et al., 1949, 2
Temperature range, min.			360.27
Temperature range, max.			447.51
Pvap	6.39	kPa	360.27	Calculated Property
Pvap	9.43	kPa	369.96	Calculated Property
Pvap	13.59	kPa	379.66	Calculated Property
Pvap	19.16	kPa	389.35	Calculated Property
Pvap	26.47	kPa	399.04	Calculated Property
Pvap	35.90	kPa	408.74	Calculated Property
Pvap	47.88	kPa	418.43	Calculated Property
Pvap	62.88	kPa	428.12	Calculated Property
Pvap	81.40	kPa	437.82	Calculated Property
Pvap	104.00	kPa	447.51	Calculated Property
Pvap	[6.39; 104.00]	kPa	[360.27; 447.51]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.39902e+01
Coefficient B			-3.54638e+03
Coefficient C			-6.80490e+01
Reference			Forziati, Norris, et al., 1949
Temperature range, min.			360.27
Temperature range, max.			447.51
Pvap	6.39	kPa	360.27	Calculated Property
Pvap	9.43	kPa	369.96	Calculated Property
Pvap	13.59	kPa	379.66	Calculated Property
Pvap	19.16	kPa	389.35	Calculated Property
Pvap	26.47	kPa	399.04	Calculated Property
Pvap	35.90	kPa	408.74	Calculated Property
Pvap	47.88	kPa	418.43	Calculated Property
Pvap	62.88	kPa	428.12	Calculated Property
Pvap	81.40	kPa	437.82	Calculated Property
Pvap	104.00	kPa	447.51	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[930.59; 269.94]	kg/m3	[197.72; 664.54]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A / B^(1 + (1 − T/C)^D) Y is ρl in kg/m3, T in K
Coefficient A			6.88177e+01
Coefficient B			2.54940e-01
Coefficient C			6.64540e+02
Coefficient D			2.80960e-01
Temperature range, min.			197.72
Temperature range, max.			664.54
ρl	930.59	kg/m3	197.72	Calculated Property
ρl	893.84	kg/m3	249.59	Calculated Property
ρl	855.29	kg/m3	301.46	Calculated Property
ρl	814.49	kg/m3	353.33	Calculated Property
ρl	770.79	kg/m3	405.20	Calculated Property
ρl	723.18	kg/m3	457.06	Calculated Property
ρl	669.90	kg/m3	508.93	Calculated Property
ρl	607.45	kg/m3	560.80	Calculated Property
ρl	526.23	kg/m3	612.67	Calculated Property
ρl	269.94	kg/m3	664.54	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.04; 0.01]	N/m	[190.45; 446.15]	Jasper (1972), surface tension of pure liquid compounds Compiled value
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is γ in N/m, T in K
Coefficient A			5.72214e-02
Coefficient B			-9.79000e-05
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			190.45
Temperature range, max.			446.15
γ	0.04	N/m	190.45	Calculated Property
γ	0.04	N/m	218.86	Calculated Property
γ	0.03	N/m	247.27	Calculated Property
γ	0.03	N/m	275.68	Calculated Property
γ	0.03	N/m	304.09	Calculated Property
γ	0.02	N/m	332.51	Calculated Property
γ	0.02	N/m	360.92	Calculated Property
γ	0.02	N/m	389.33	Calculated Property
γ	0.02	N/m	417.74	Calculated Property
γ	0.01	N/m	446.15	Calculated Property
γ	[0.04; 7.39e-07]	N/m	[197.72; 659.40]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is γ in N/m, T in K
Coefficient A			-7.26780e-03
Coefficient B			5.63150e+01
Coefficient C			-3.35590e+00
Coefficient D			9.86250e-04
Coefficient E			-5.29890e-06
Comment			Range stopped where the equation turns negative; ChemSep gives it to 664.54 K.
Temperature range, min.			197.72
Temperature range, max.			659.40
γ	0.04	N/m	197.72	Calculated Property
γ	0.03	N/m	249.02	Calculated Property
γ	0.03	N/m	300.32	Calculated Property
γ	0.02	N/m	351.61	Calculated Property
γ	0.02	N/m	402.91	Calculated Property
γ	0.01	N/m	454.21	Calculated Property
γ	0.01	N/m	505.51	Calculated Property
γ	0.01	N/m	556.81	Calculated Property
γ	0.00	N/m	608.11	Calculated Property
γ	7.39e-07	N/m	659.40	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λgas	[0.00; 0.08]	W/m×K	[197.72; 1000.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A·T^B / (1 + C/T + D/T²) Y is λgas in W/m×K, T in K
Coefficient A			2.20000e-05
Coefficient B			1.21010e+00
Coefficient C			1.86500e+02
Coefficient D			4.94340e+04
Temperature range, min.			197.72
Temperature range, max.			1000.00
λgas	0.00	W/m×K	197.72	Calculated Property
λgas	0.01	W/m×K	286.86	Calculated Property
λgas	0.02	W/m×K	376.00	Calculated Property
λgas	0.02	W/m×K	465.14	Calculated Property
λgas	0.03	W/m×K	554.29	Calculated Property
λgas	0.04	W/m×K	643.43	Calculated Property
λgas	0.05	W/m×K	732.57	Calculated Property
λgas	0.06	W/m×K	821.71	Calculated Property
λgas	0.07	W/m×K	910.86	Calculated Property
λgas	0.08	W/m×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λliquid	[0.14; 0.09]	W/m×K	[197.72; 446.48]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is λliquid in W/m×K, T in K
Coefficient A			-4.28640e-02
Coefficient B			5.34640e+00
Coefficient C			-1.60330e+00
Coefficient D			-3.57540e-04
Coefficient E			-1.17810e-06
Temperature range, min.			197.72
Temperature range, max.			446.48
λliquid	0.14	W/m×K	197.72	Calculated Property
λliquid	0.14	W/m×K	225.36	Calculated Property
λliquid	0.13	W/m×K	253.00	Calculated Property
λliquid	0.13	W/m×K	280.64	Calculated Property
λliquid	0.12	W/m×K	308.28	Calculated Property
λliquid	0.12	W/m×K	335.92	Calculated Property
λliquid	0.11	W/m×K	363.56	Calculated Property
λliquid	0.11	W/m×K	391.20	Calculated Property
λliquid	0.10	W/m×K	418.84	Calculated Property
λliquid	0.09	W/m×K	446.48	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, (1-methylpropyl)-.

Mixtures

• Dodecane + Formamide, N,N-dimethyl- + Benzene, (1-methylpropyl)-
• Hexadecane + Benzene, (1-methylpropyl)-
• Benzene, (1-methylpropyl)- + Ethane, 1,1,2,2-tetrachloro-
• Benzene, (1-methylpropyl)- + Water
• Benzene, (1-methylpropyl)- + Decane + Thiophene, tetrahydro-, 1,1-dioxide
• Dodecane + Benzene, (1-methylpropyl)- + Thiophene, tetrahydro-, 1,1-dioxide
• Benzene, (1-methylpropyl)- + Tetradecane + Thiophene, tetrahydro-, 1,1-dioxide
• Carbon dioxide + Benzene, (1-methylpropyl)-
• Dodecane + 2-Pyrrolidinone, 1-methyl- + Benzene, (1-methylpropyl)-

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).
• Jasper (1972), surface tension of pure liquid compounds ChEDL chemicals 1.5.2, from Jasper, J. J. The Surface Tension of Pure Liquid Compounds. J. Phys. Chem. Ref. Data 1972, 1, 841-1010 (as transcribed in Lange's Handbook).
• Passut and Danner (1973), critical constants and acentric factors ChEDL chemicals 1.5.2, from Passut, C. A.; Danner, R. P. Acentric Factor. A Valuable Correlating Parameter for the Properties of Hydrocarbons. Ind. Eng. Chem. Process Des. Dev. 1973, 12, 365-368.
• 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.
• ChemSep v8.3 pure component data Converted from ChemSep v8.3 pure component data, H. Kooijman and R. Taylor (2021, 2022), Artistic License 2.0; see how the values differ.
• Crippen Method
• Phase equilibria for the extraction of sec-butylbenzene from dodecane with N,N-dimethylformamide
• Thermodynamic study of 1,1,2,2-tetrachloroethane + hydrocarbon mixtures I. Excess and solvation enthalpies
• Modified solution calorimetry approach for determination of vaporization and sublimation enthalpies of branched-chain aliphatic and alkyl aromatic compounds at T = 298.15 K
• Densities, speeds of sound, refractive indices, viscosities and their related thermodynamic properties for n-hexadecane + two aromatic hydrocarbons binary mixtures at temperatures from 298.15 K to 318.15 K
• DIPPR Project 851 - Thirty Years of Vapor-Liquid Critical Point Measurements and Experimental Technique Development
• Measurement and Correlation of Phase Equilibria for Dodecane + sec-Butylbenzene + N-Methyl-2-pyrrolidone
• Saturated Heat Capacities of Some Linear and Branched Alkylbenzenes between (332 and 401) K
• Liquid Liquid Equilibria of Alkane (C10 C14) + sec-Butylbenzene + Sulfolane
• Determination of Henry's Law Constants Using Internal Standards with Benchmark Values
• Diffusion Coefficients of Isobutylbenzene, sec-Butylbenzene, and 3-Methylbutylbenzene in Supercritical Carbon Dioxide
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure
• Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

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