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).
• 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_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	0.3800		KDB
ΔcH°liquid	-5866.10 ± 1.00	kJ/mol	NIST
μ	0.30	debye	KDB
ΔfG°	143.29	kJ/mol	Joback Calculated Property
Δc,grossH	5877.27	kJ/mol	KDB
Δc,netH	5569.741	kJ/mol	KDB
ΔfH°gas	[-21.56; -21.50]	kJ/mol
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	[3050.00; 3050.00]	kPa
Pc	3050.00	kPa	KDB
Pc	3050.00	kPa	NIST
Pc	3050.00 ± 5.88	kPa	NIST
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
I	[1204.00; 1276.00]
I	1217.00		NIST
I	1220.00		NIST
I	1241.30		NIST
I	1235.90		NIST
I	1215.90		NIST
I	1259.00		NIST
I	1268.00		NIST
I	1276.00		NIST
I	1251.00		NIST
I	1250.00		NIST
I	1270.60		NIST
I	1216.00		NIST
I	1204.00		NIST
I	1241.00		NIST
I	1216.00		NIST
I	1228.00		NIST
I	1270.60		NIST
I	1217.00		NIST
I	1259.00		NIST
I	1241.00		NIST
Tboil	[439.00; 446.07]	K
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	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	KDB
Tc	650.00	K	NIST
Tc	657.87 ± 0.30	K	NIST
Tc	650.30 ± 3.00	K	NIST
Tfus	[221.22; 221.70]	K
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	Outlier 221.22 ± 0.10	K	NIST
Tfus	221.50 ± 0.30	K	NIST
Vc	0.480	m3/kmol	KDB
Zc	0.2708890		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[256.43; 337.41]	J/mol×K	[454.44; 663.87]
Cp,gas	256.43	J/mol×K	454.44	Joback Calculated Property
Cp,gas	272.00	J/mol×K	489.35	Joback Calculated Property
Cp,gas	286.70	J/mol×K	524.25	Joback Calculated Property
Cp,gas	300.56	J/mol×K	559.16	Joback Calculated Property
Cp,gas	313.60	J/mol×K	594.06	Joback Calculated Property
Cp,gas	325.87	J/mol×K	628.97	Joback Calculated Property
Cp,gas	337.41	J/mol×K	663.87	Joback Calculated Property
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

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[326.09; 475.46]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
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	[2.21e-04; 3004.42]	kPa	[221.70; 650.15]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			9.00897e+01
Coefficient B			-8.71651e+03
Coefficient C			-1.10159e+01
Coefficient D			6.33426e-06
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

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
• 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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