Chemical Properties of Benzene, (2-methylpropyl)- (CAS 538-93-2)

InChI

InChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3

InChI Key

KXUHSQYYJYAXGZ-UHFFFAOYSA-N

Formula

C10H14

SMILES

CC(C)Cc1ccccc1

Molecular Weight¹

134.22

CAS

538-93-2

Other Names

• (2-methylpropyl)benzene
• 1-Phenyl-2-methylpropane
• 1-Phenylisobutane
• 2-Methyl-1-phenylpropane
• 2-methylpropylbenzene
• benzene, 2-methylpropyl-
• benzene, isobutyl-
• i-Butylbenzene
• isobutylbenzene

• 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).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• 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_boilr : Boiling point at reduced pressure (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	[0.3694; 0.3830]
ω	0.3694		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.3782		Passut and Danner (1973), critical constants and acentric factors Compiled value
ω	0.3830		ChemSep v8.3 pure component data Compiled value
ω	0.3800		KDB
ΔcH°liquid	-5866.10 ± 1.00	kJ/mol	NIST
μ	[0.30; 0.45]	debye
μ	0.45	debye	ChemSep v8.3 pure component data Compiled value
μ	0.30	debye	KDB
ΔfG°	138.80	kJ/mol	ChemSep v8.3 pure component data Compiled value
Δc,grossH	5877.27	kJ/mol	KDB
Δc,netH	5569.741	kJ/mol	KDB
ΔfH°gas	[-21.56; -20.54]	kJ/mol
ΔfH°gas	-20.54	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	-21.56	kJ/mol	KDB
ΔfH°gas	-21.50 ± 1.40	kJ/mol	NIST
ΔfH°liquid	-69.90 ± 1.30	kJ/mol	NIST
ΔfusH°	12.17	kJ/mol	Joback Calculated Property
ΔvapH°	[47.87; 49.50]	kJ/mol
ΔvapH°	47.87	kJ/mol	NIST
ΔvapH°	48.00	kJ/mol	NIST
ΔvapH°	49.50	kJ/mol	NIST
ΔvapH°	48.40	kJ/mol	NIST
IE	[8.68; 8.71]	eV
IE	8.68	eV	NIST
IE	8.69 ± 0.01	eV	NIST
IE	8.71 ± 0.05	eV	NIST
log10WS	[-4.12; -4.12]
log10WS	-4.12		Aq. Solubility Prediction
log10WS	-4.12		Estimated Solubility
logPoct/wat	2.885		Crippen Calculated Property
McVol	128.000	ml/mol	McGowan Calculated Property
NFPA Fire	2		KDB
NFPA Health	2		KDB
Pc	[3033.69; 3050.00]	kPa
Pc	3050.00	kPa	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 3 Compiled value
Pc	3049.88	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	Outlier 3033.69	kPa	Passut and Danner (1973), critical constants and acentric factors Compiled value
Pc	3050.00	kPa	ChemSep v8.3 pure component data Compiled value
Pc	3050.00	kPa	KDB
Pc	3050.00	kPa	NIST
Pc	3050.00 ± 5.88	kPa	NIST
Ptriple	2.89e-04	kPa	ChemSep v8.3 pure component data Compiled value
Inp	[982.00; 1014.90]
Inp	990.00		NIST
Inp	990.00		NIST
Inp	1002.00		NIST
Inp	1003.00		NIST
Inp	1002.00		NIST
Inp	1002.00		NIST
Inp	1004.00		NIST
Inp	999.00		NIST
Inp	990.50		NIST
Inp	990.90		NIST
Inp	994.30		NIST
Inp	985.50		NIST
Inp	988.30		NIST
Inp	989.00		NIST
Inp	985.20		NIST
Inp	985.50		NIST
Inp	988.30		NIST
Inp	991.00		NIST
Inp	986.70		NIST
Inp	986.70		NIST
Inp	982.35		NIST
Inp	993.10		NIST
Inp	993.10		NIST
Inp	989.80		NIST
Inp	Outlier 1014.00		NIST
Inp	1010.00		NIST
Inp	985.00		NIST
Inp	995.00		NIST
Inp	1012.00		NIST
Inp	1008.20		NIST
Inp	992.00		NIST
Inp	1008.00		NIST
Inp	995.70		NIST
Inp	992.00		NIST
Inp	997.00		NIST
Inp	1001.00		NIST
Inp	989.50		NIST
Inp	Outlier 1014.90		NIST
Inp	1009.00		NIST
Inp	997.20		NIST
Inp	998.00		NIST
Inp	991.30		NIST
Inp	992.70		NIST
Inp	994.39		NIST
Inp	994.48		NIST
Inp	994.00		NIST
Inp	988.86		NIST
Inp	992.41		NIST
Inp	994.66		NIST
Inp	1004.03		NIST
Inp	1007.86		NIST
Inp	1010.66		NIST
Inp	992.00		NIST
Inp	1006.00		NIST
Inp	1006.00		NIST
Inp	1012.00		NIST
Inp	1012.00		NIST
Inp	982.00		NIST
Inp	993.00		NIST
Inp	998.00		NIST
Inp	996.00		NIST
Inp	1003.00		NIST
Inp	998.00		NIST
Inp	1012.10		NIST
Inp	992.00		NIST
Inp	992.00		NIST
Inp	1009.00		NIST
Inp	994.00		NIST
Inp	996.00		NIST
Inp	997.00		NIST
Inp	997.00		NIST
Inp	993.00		NIST
Inp	989.90		NIST
Inp	992.00		NIST
Inp	1002.00		NIST
Inp	1008.20		NIST
Ip	[1204.00; 1276.00]
Ip	1217.00		NIST
Ip	1220.00		NIST
Ip	1241.30		NIST
Ip	1235.90		NIST
Ip	1215.90		NIST
Ip	1259.00		NIST
Ip	1268.00		NIST
Ip	1276.00		NIST
Ip	1251.00		NIST
Ip	1250.00		NIST
Ip	1270.60		NIST
Ip	1216.00		NIST
Ip	1204.00		NIST
Ip	1241.00		NIST
Ip	1216.00		NIST
Ip	1228.00		NIST
Ip	1270.60		NIST
Ip	1217.00		NIST
Ip	1259.00		NIST
Ip	1241.00		NIST
Tboil	[439.00; 446.07]	K
Tboil	445.90	K	ChemSep v8.3 pure component data Compiled value
Tboil	445.94	K	KDB
Tboil	446.00	K	NIST
Tboil	445.00 ± 2.00	K	NIST
Tboil	445.89 ± 0.30	K	NIST
Tboil	443.00 ± 3.00	K	NIST
Tboil	445.88 ± 0.30	K	NIST
Tboil	445.87 ± 0.30	K	NIST
Tboil	445.85 ± 0.30	K	NIST
Tboil	446.00 ± 0.30	K	NIST
Tboil	446.07 ± 0.30	K	NIST
Tboil	445.90 ± 0.03	K	NIST
Tboil	445.90 ± 0.20	K	NIST
Tboil	446.07 ± 0.30	K	NIST
Tboil	445.88 ± 0.20	K	NIST
Tboil	445.90 ± 0.50	K	NIST
Tboil	446.00 ± 0.30	K	NIST
Tboil	446.00 ± 0.30	K	NIST
Tboil	445.88 ± 0.30	K	NIST
Tboil	444.70 ± 0.40	K	NIST
Tboil	445.95 ± 0.30	K	NIST
Tboil	445.97 ± 0.30	K	NIST
Tboil	Outlier 440.00 ± 8.00	K	NIST
Tboil	441.00 ± 6.00	K	NIST
Tboil	442.90 ± 1.00	K	NIST
Tboil	443.40 ± 2.00	K	NIST
Tboil	442.40 ± 2.00	K	NIST
Tboil	440.56 ± 0.50	K	NIST
Tboil	Outlier 439.00 ± 3.00	K	NIST
Tboil	442.40 ± 0.50	K	NIST
Tboil	440.20 ± 1.50	K	NIST
Tc	[650.00; 657.87]	K
Tc	650.00	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 3 Compiled value
Tc	650.00	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	650.37	K	Passut and Danner (1973), critical constants and acentric factors Compiled value
Tc	650.00	K	ChemSep v8.3 pure component data Compiled value
Tc	650.00	K	KDB
Tc	650.00	K	NIST
Tc	Outlier 657.87 ± 0.30	K	NIST
Tc	650.30 ± 3.00	K	NIST
Tfus	[221.22; 222.15]	K
Tfus	Outlier 222.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	221.70	K	ChemSep v8.3 pure component data Compiled value
Tfus	221.70	K	KDB
Tfus	221.65 ± 0.30	K	NIST
Tfus	221.56 ± 0.10	K	NIST
Tfus	221.61 ± 0.50	K	NIST
Tfus	221.67 ± 0.05	K	NIST
Tfus	221.22 ± 0.10	K	NIST
Tfus	221.50 ± 0.30	K	NIST
Ttriple	221.70	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	[0.480; 0.490]	m3/kmol
Vc	0.490	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc	0.480	m3/kmol	ChemSep v8.3 pure component data Compiled value
Vc	0.480	m3/kmol	KDB
Zc	[0.2708890; 0.2710000]
Zc	0.2710000		ChemSep v8.3 pure component data Compiled value
Zc	0.2708890		KDB
Zra	0.27		ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Csat	[259.10; 293.80]	J/mol×K	[332.20; 401.30]
Csat	259.10	J/mol×K	332.20	Saturated Heat Capacities of Some Linear and Branched Alkylbenzenes between (332 and 401) K
Csat	263.50	J/mol×K	342.10	Saturated Heat Capacities of Some Linear and Branched Alkylbenzenes between (332 and 401) K
Csat	268.80	J/mol×K	354.90	Saturated Heat Capacities of Some Linear and Branched Alkylbenzenes between (332 and 401) K
Csat	273.90	J/mol×K	361.80	Saturated Heat Capacities of Some Linear and Branched Alkylbenzenes between (332 and 401) K
Csat	278.60	J/mol×K	371.60	Saturated Heat Capacities of Some Linear and Branched Alkylbenzenes between (332 and 401) K
Csat	283.00	J/mol×K	381.50	Saturated Heat Capacities of Some Linear and Branched Alkylbenzenes between (332 and 401) K
Csat	289.10	J/mol×K	391.40	Saturated Heat Capacities of Some Linear and Branched Alkylbenzenes between (332 and 401) K
Csat	293.80	J/mol×K	401.30	Saturated Heat Capacities of Some Linear and Branched Alkylbenzenes between (332 and 401) K
η	[0.0007840; 0.0009050]	Pa×s	[303.15; 313.15]
η	0.0009050	Pa×s	303.15	Physical Properties of Binary Mixtures of Ethyl Formate with Benzene, Isopropyl Benzene, Isobutyl Benzene, and Butylbenzene at (303.15, 308.15, and 313.15) K
η	0.0009050	Pa×s	303.15	Density and Viscosity of Propyl Formate + Aromatic Hydrocarbons at T = (303.15, 308.15, and 313.15) K
η	0.0008480	Pa×s	308.15	Physical Properties of Binary Mixtures of Ethyl Formate with Benzene, Isopropyl Benzene, Isobutyl Benzene, and Butylbenzene at (303.15, 308.15, and 313.15) K
η	0.0008480	Pa×s	308.15	Density and Viscosity of Propyl Formate + Aromatic Hydrocarbons at T = (303.15, 308.15, and 313.15) K
η	0.0007840	Pa×s	313.15	Physical Properties of Binary Mixtures of Ethyl Formate with Benzene, Isopropyl Benzene, Isobutyl Benzene, and Butylbenzene at (303.15, 308.15, and 313.15) K
η	0.0007840	Pa×s	313.15	Density and Viscosity of Propyl Formate + Aromatic Hydrocarbons at T = (303.15, 308.15, and 313.15) K
ΔvapH	[43.20; 43.80]	kJ/mol	[403.50; 410.00]
ΔvapH	43.80	kJ/mol	403.50	NIST
ΔvapH	43.20	kJ/mol	410.00	NIST
n0	[1.48397; 1.48400]		[298.15; 298.15]
n0	1.48397		298.15	Effect of Temperature on the Change of Refractive Index on Mixing for Butyl Acetate + Aromatic Hydrocarbons
n0	1.48400		298.15	KDB
ρl	853.00	kg/m3	293.00	KDB

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	443.20	K	98.10	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[130.93; 477.72]	J/mol×K	[221.70; 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			8.33640e+01
Coefficient B			-5.56410e+02
Coefficient C			6.36924e+00
Coefficient D			1.60370e-05
Coefficient E			-2.00470e-08
Temperature range, min.			221.70
Temperature range, max.			1500.00
Cp,gas	130.93	J/mol×K	221.70	Calculated Property
Cp,gas	210.18	J/mol×K	363.73	Calculated Property
Cp,gas	278.19	J/mol×K	505.77	Calculated Property
Cp,gas	331.08	J/mol×K	647.80	Calculated Property
Cp,gas	371.93	J/mol×K	789.83	Calculated Property
Cp,gas	403.80	J/mol×K	931.87	Calculated Property
Cp,gas	428.94	J/mol×K	1073.90	Calculated Property
Cp,gas	448.95	J/mol×K	1215.93	Calculated Property
Cp,gas	464.94	J/mol×K	1357.97	Calculated Property
Cp,gas	477.72	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[202.62; 315.36]	J/mol×K	[221.70; 445.94]	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			1.16150e+02
Coefficient B			-3.66080e+01
Coefficient C			3.28124e+00
Coefficient D			7.40740e-03
Coefficient E			-6.07470e-06
Temperature range, min.			221.70
Temperature range, max.			445.94
Cp,liquid	202.62	J/mol×K	221.70	Calculated Property
Cp,liquid	214.66	J/mol×K	246.62	Calculated Property
Cp,liquid	227.19	J/mol×K	271.53	Calculated Property
Cp,liquid	240.09	J/mol×K	296.45	Calculated Property
Cp,liquid	253.21	J/mol×K	321.36	Calculated Property
Cp,liquid	266.38	J/mol×K	346.28	Calculated Property
Cp,liquid	279.39	J/mol×K	371.19	Calculated Property
Cp,liquid	292.03	J/mol×K	396.11	Calculated Property
Cp,liquid	304.10	J/mol×K	421.02	Calculated Property
Cp,liquid	315.36	J/mol×K	445.94	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0048014; 0.0001246]	Pa×s	[221.70; 550.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.25460e+01
Coefficient B			1.39250e+03
Coefficient C			1.73620e-01
Coefficient D			-2.36720e-07
Coefficient E			2.00000e+00
Temperature range, min.			221.70
Temperature range, max.			550.00
η	0.0048014	Pa×s	221.70	Calculated Property
η	0.0020214	Pa×s	258.18	Calculated Property
η	0.0010557	Pa×s	294.66	Calculated Property
η	0.0006367	Pa×s	331.13	Calculated Property
η	0.0004246	Pa×s	367.61	Calculated Property
η	0.0003046	Pa×s	404.09	Calculated Property
η	0.0002307	Pa×s	440.57	Calculated Property
η	0.0001823	Pa×s	477.04	Calculated Property
η	0.0001488	Pa×s	513.52	Calculated Property
η	0.0001246	Pa×s	550.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[52.25; 18.10]	kJ/mol	[221.70; 627.46]	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			6.08380e+01
Coefficient B			3.00520e-01
Coefficient C			2.56120e-01
Coefficient D			-1.99690e-01
Coefficient E			-1.12490e-03
Critical temperature, Tc (K)			6.50000e+02
Temperature range, min.			221.70
Temperature range, max.			627.46
ΔvapH	52.25	kJ/mol	221.70	Calculated Property
ΔvapH	49.98	kJ/mol	266.78	Calculated Property
ΔvapH	47.54	kJ/mol	311.87	Calculated Property
ΔvapH	44.92	kJ/mol	356.95	Calculated Property
ΔvapH	42.09	kJ/mol	402.04	Calculated Property
ΔvapH	39.00	kJ/mol	447.12	Calculated Property
ΔvapH	35.55	kJ/mol	492.21	Calculated Property
ΔvapH	31.53	kJ/mol	537.29	Calculated Property
ΔvapH	26.40	kJ/mol	582.38	Calculated Property
ΔvapH	18.10	kJ/mol	627.46	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[326.09; 475.46]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.46312e+01
Coefficient B			-3.97468e+03
Coefficient C			-4.89840e+01
Temperature range, min.			326.09
Temperature range, max.			475.46
Pvap	1.33	kPa	326.09	Calculated Property
Pvap	3.00	kPa	342.69	Calculated Property
Pvap	6.18	kPa	359.28	Calculated Property
Pvap	11.85	kPa	375.88	Calculated Property
Pvap	21.32	kPa	392.48	Calculated Property
Pvap	36.35	kPa	409.07	Calculated Property
Pvap	59.12	kPa	425.67	Calculated Property
Pvap	92.28	kPa	442.27	Calculated Property
Pvap	138.94	kPa	458.86	Calculated Property
Pvap	202.64	kPa	475.46	Calculated Property
Pvap	[2.09e-04; 3169.17]	kPa	[221.70; 650.00]	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			9.03343e+01
Coefficient B			-8.75286e+03
Coefficient C			-1.10424e+01
Coefficient D			6.42465e-06
Coefficient E			2.00000e+00
Temperature range, min.			221.70
Temperature range, max.			650.00
Pvap	2.09e-04	kPa	221.70	Calculated Property
Pvap	0.03	kPa	269.29	Calculated Property
Pvap	0.79	kPa	316.88	Calculated Property
Pvap	7.68	kPa	364.47	Calculated Property
Pvap	40.24	kPa	412.06	Calculated Property
Pvap	141.72	kPa	459.64	Calculated Property
Pvap	383.05	kPa	507.23	Calculated Property
Pvap	865.02	kPa	554.82	Calculated Property
Pvap	1726.96	kPa	602.41	Calculated Property
Pvap	3169.17	kPa	650.00	Calculated Property
Pvap	[2.21e-04; 3004.42]	kPa	[221.70; 650.15]	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			9.00897e+01
Coefficient B			-8.71651e+03
Coefficient C			-1.10159e+01
Coefficient D			6.33426e-06
Coefficient E			0.00000e+00
Temperature range, min.			221.70
Temperature range, max.			650.15
Pvap	2.21e-04	kPa	221.70	Calculated Property
Pvap	0.03	kPa	269.31	Calculated Property
Pvap	0.81	kPa	316.91	Calculated Property
Pvap	7.70	kPa	364.52	Calculated Property
Pvap	39.84	kPa	412.12	Calculated Property
Pvap	138.89	kPa	459.73	Calculated Property
Pvap	372.03	kPa	507.33	Calculated Property
Pvap	833.10	kPa	554.94	Calculated Property
Pvap	1649.98	kPa	602.54	Calculated Property
Pvap	3004.42	kPa	650.15	Calculated Property
Pvap	[6.40; 103.99]	kPa	[359.79; 446.96]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.39427e+01
Coefficient B			-3.51463e+03
Coefficient C			-6.89790e+01
Reference			Forziati, Norris, et al., 1949, 2
Temperature range, min.			359.79
Temperature range, max.			446.96
Pvap	6.40	kPa	359.79	Calculated Property
Pvap	9.46	kPa	369.48	Calculated Property
Pvap	13.62	kPa	379.16	Calculated Property
Pvap	19.20	kPa	388.85	Calculated Property
Pvap	26.52	kPa	398.53	Calculated Property
Pvap	35.96	kPa	408.22	Calculated Property
Pvap	47.94	kPa	417.90	Calculated Property
Pvap	62.93	kPa	427.59	Calculated Property
Pvap	81.43	kPa	437.27	Calculated Property
Pvap	103.99	kPa	446.96	Calculated Property
Pvap	[6.40; 103.99]	kPa	[359.79; 446.96]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.39427e+01
Coefficient B			-3.51463e+03
Coefficient C			-6.89790e+01
Reference			Forziati, Norris, et al., 1949
Temperature range, min.			359.79
Temperature range, max.			446.96
Pvap	6.40	kPa	359.79	Calculated Property
Pvap	9.46	kPa	369.48	Calculated Property
Pvap	13.62	kPa	379.16	Calculated Property
Pvap	19.20	kPa	388.85	Calculated Property
Pvap	26.52	kPa	398.53	Calculated Property
Pvap	35.96	kPa	408.22	Calculated Property
Pvap	47.94	kPa	417.90	Calculated Property
Pvap	62.93	kPa	427.59	Calculated Property
Pvap	81.43	kPa	437.27	Calculated Property
Pvap	103.99	kPa	446.96	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[909.81; 451.36]	kg/m3	[221.70; 627.46]	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			7.37757e+01
Coefficient B			2.62710e-01
Coefficient C			6.50000e+02
Coefficient D			3.08070e-01
Temperature range, min.			221.70
Temperature range, max.			627.46
ρl	909.81	kg/m3	221.70	Calculated Property
ρl	874.49	kg/m3	266.78	Calculated Property
ρl	837.71	kg/m3	311.87	Calculated Property
ρl	799.14	kg/m3	356.95	Calculated Property
ρl	758.30	kg/m3	402.04	Calculated Property
ρl	714.46	kg/m3	447.12	Calculated Property
ρl	666.45	kg/m3	492.21	Calculated Property
ρl	612.08	kg/m3	537.29	Calculated Property
ρl	546.43	kg/m3	582.38	Calculated Property
ρl	451.36	kg/m3	627.46	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.03; 0.01]	N/m	[221.65; 445.95]	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			5.56397e-02
Coefficient B			-9.61000e-05
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			221.65
Temperature range, max.			445.95
γ	0.03	N/m	221.65	Calculated Property
γ	0.03	N/m	246.57	Calculated Property
γ	0.03	N/m	271.49	Calculated Property
γ	0.03	N/m	296.42	Calculated Property
γ	0.02	N/m	321.34	Calculated Property
γ	0.02	N/m	346.26	Calculated Property
γ	0.02	N/m	371.18	Calculated Property
γ	0.02	N/m	396.11	Calculated Property
γ	0.02	N/m	421.03	Calculated Property
γ	0.01	N/m	445.95	Calculated Property
γ	[0.03; 7.31e-04]	N/m	[221.70; 627.46]	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			-9.64310e-03
Coefficient B			4.45330e+01
Coefficient C			-3.19930e+00
Coefficient D			4.34420e-04
Coefficient E			-4.35030e-06
Temperature range, min.			221.70
Temperature range, max.			627.46
γ	0.03	N/m	221.70	Calculated Property
γ	0.03	N/m	266.78	Calculated Property
γ	0.03	N/m	311.87	Calculated Property
γ	0.02	N/m	356.95	Calculated Property
γ	0.02	N/m	402.04	Calculated Property
γ	0.01	N/m	447.12	Calculated Property
γ	0.01	N/m	492.21	Calculated Property
γ	0.01	N/m	537.29	Calculated Property
γ	0.00	N/m	582.38	Calculated Property
γ	7.31e-04	N/m	627.46	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λgas	[0.01; 0.08]	W/m×K	[221.70; 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			2.21620e-05
Coefficient B			1.21410e+00
Coefficient C			1.74060e+02
Coefficient D			5.01620e+04
Temperature range, min.			221.70
Temperature range, max.			1000.00
λgas	0.01	W/m×K	221.70	Calculated Property
λgas	0.01	W/m×K	308.18	Calculated Property
λgas	0.02	W/m×K	394.66	Calculated Property
λgas	0.03	W/m×K	481.13	Calculated Property
λgas	0.03	W/m×K	567.61	Calculated Property
λgas	0.04	W/m×K	654.09	Calculated Property
λgas	0.05	W/m×K	740.57	Calculated Property
λgas	0.06	W/m×K	827.04	Calculated Property
λgas	0.07	W/m×K	913.52	Calculated Property
λgas	0.08	W/m×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λliquid	[0.13; 0.09]	W/m×K	[221.70; 445.94]	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			-3.32630e-02
Coefficient B			-2.39620e+01
Coefficient C			-1.36950e+00
Coefficient D			-1.33800e-03
Coefficient E			-2.52510e-07
Temperature range, min.			221.70
Temperature range, max.			445.94
λliquid	0.13	W/m×K	221.70	Calculated Property
λliquid	0.13	W/m×K	246.62	Calculated Property
λliquid	0.13	W/m×K	271.53	Calculated Property
λliquid	0.12	W/m×K	296.45	Calculated Property
λliquid	0.12	W/m×K	321.36	Calculated Property
λliquid	0.11	W/m×K	346.28	Calculated Property
λliquid	0.11	W/m×K	371.19	Calculated Property
λliquid	0.10	W/m×K	396.11	Calculated Property
λliquid	0.10	W/m×K	421.02	Calculated Property
λliquid	0.09	W/m×K	445.94	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, (2-methylpropyl)-.

Mixtures

• Acetic acid, butyl ester + Benzene, (2-methylpropyl)-
• Dodecane + Benzene, (2-methylpropyl)-
• Naphthalene, 1,2,3,4-tetrahydro- + Benzene, (2-methylpropyl)-
• Carbon dioxide + Benzene, (2-methylpropyl)-
• Dodecane + Naphthalene, 1,2,3,4-tetrahydro- + Benzene, (2-methylpropyl)-
• Formic acid, propyl ester + Benzene, (2-methylpropyl)-
• Ethyl formate + Benzene, (2-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).
• IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 3 ChEDL chemicals 1.5.2, from Tsonopoulos, C.; Ambrose, D. Vapor-Liquid Critical Properties of Elements and Compounds. 3. Aromatic Hydrocarbons. J. Chem. Eng. Data 1995, 40, 547-558.
• 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
• Effect of Temperature on the Change of Refractive Index on Mixing for Butyl Acetate + Aromatic Hydrocarbons
• Prediction and Experimental Measurement of Refractive Index in Ternary Hydrocarbon Mixtures
• Mass Diffusion Coefficient and Soret Coefficient of o-Dichlorobenzene Solutions of PCBM and [60]Fullerene by the Soret Forced Rayleigh Scattering Method
• Saturated Heat Capacities of Some Linear and Branched Alkylbenzenes between (332 and 401) K
• Diffusion Coefficients of Isobutylbenzene, sec-Butylbenzene, and 3-Methylbutylbenzene in Supercritical Carbon Dioxide
• Comparison between Experimental and Theoretical Estimations of the Thermal Expansion, Concentration Expansion Coefficients, and Viscosity for Binary Mixtures under Pressures up to 20 MPa
• Physical Properties of Binary Mixtures of Ethyl Formate with Benzene, Isopropyl Benzene, Isobutyl Benzene, and Butylbenzene at (303.15, 308.15, and 313.15) K
• Density and Viscosity of Propyl Formate + Aromatic Hydrocarbons at T = (303.15, 308.15, and 313.15) K
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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