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-
• SEC-BUTYLBENZENE
• Secondary butylbenzene
• UN 2709
• s-Butylbenzene
• «alpha»-methylpropylbenzene
• «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).
• 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_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_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	0.2740		KDB
ΔcH°liquid	-5869.50 ± 1.10	kJ/mol	NIST
μ	0.40	debye	KDB
ΔfG°	143.29	kJ/mol	Joback Calculated Property
Δc,grossH	5877.68	kJ/mol	KDB
Δc,netH	5570.160	kJ/mol	KDB
ΔfH°gas	[-17.46; -17.40]	kJ/mol
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	-3.08		Crippen Calculated Property
logPoct/wat	3.200		Crippen Calculated Property
McVol	128.000	ml/mol	McGowan Calculated Property
Pc	2940.00	kPa	KDB
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	983.00		NIST
I	[1224.00; 1312.00]
I	1248.10		NIST
I	1241.70		NIST
I	1227.20		NIST
I	1259.00		NIST
I	Outlier 1312.00		NIST
I	1260.00		NIST
I	1262.00		NIST
I	1273.00		NIST
I	1287.00		NIST
I	1298.00		NIST
I	1250.00		NIST
I	1227.00		NIST
I	Outlier 1311.00		NIST
I	1224.00		NIST
I	1248.00		NIST
I	1227.00		NIST
I	1248.00		NIST
I	1235.00		NIST
I	1248.00		NIST
Tboil	446.50	K	KDB
Tc	664.00	K	KDB
Tfus	[197.00; 199.76]	K
Tfus	197.70	K	KDB
Tfus	197.85 ± 0.20	K	NIST
Tfus	Outlier 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
Vc	0.481	m3/kmol	Joback Calculated Property

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
Cp,liquid	241.70	J/mol×K	293.74	NIST
η	[0.0002163; 0.0057217]	Pa×s	[213.88; 454.44]
η	0.0057217	Pa×s	213.88	Joback Calculated Property
η	0.0021545	Pa×s	253.97	Joback Calculated Property
η	0.0010588	Pa×s	294.07	Joback Calculated Property
η	0.0006171	Pa×s	334.16	Joback Calculated Property
η	0.0004037	Pa×s	374.25	Joback Calculated Property
η	0.0002868	Pa×s	414.35	Joback Calculated Property
η	0.0002163	Pa×s	454.44	Joback Calculated Property
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	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	45.70 ± 0.20	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 e...
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	Densiti...
ρl	857.95	kg/m3	298.15	Thermod...
ρl	857.89	kg/m3	298.15	Densiti...
ρl	849.78	kg/m3	308.15	Densiti...
ρl	841.64	kg/m3	318.15	Densiti...
ρl	837.48	kg/m3	323.15	Densiti...

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[329.18; 487.90]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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	[3.03e-06; 2983.03]	kPa	[197.72; 664.54]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.04720e+02
Coefficient B			-9.56288e+03
Coefficient C			-1.31111e+01
Coefficient D			6.52492e-06
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

Similar Compounds

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

Mixtures

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

Sources

• KDB Vapor Pressure Data
• Crippen Method
• 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
• 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
• 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
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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