Chemical Properties of «alpha»-Methylstyrene (CAS 98-83-9)

InChI

InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3

InChI Key

XYLMUPLGERFSHI-UHFFFAOYSA-N

Formula

C9H10

SMILES

C=C(C)c1ccccc1

Molecular Weight¹

118.18

CAS

98-83-9

Other Names

• (1-Methylethenyl)benzene
• (1-methylvinyl)benzene
• .alpha.-Methylstyrene
• 1-Methyl-1-phenylethene
• 1-Methyl-1-phenylethylene
• 1-Phenyl-1-methylethylene
• 1-Propene, 2-phenyl-
• 2-Phenyl-1-propene
• 2-Phenyl-2-propene
• 2-Phenylpropene
• 2-Phenylpropylene
• ALPHA-METHYLSTYRENE
• AS-Methylphenylethylene
• Benzene, (1-methylethenyl)-
• Benzene, isopropenyl-
• Isopropenil-benzolo
• Isopropenyl-benzeen
• Isopropenyl-benzol
• Isopropenylbenzene
• NSC 9400
• Styrene, «alpha»-methyl-
• Styrene, «alpha»-methyl-
• UN 2303
• a-methylstyrene
• prop-1-en-2-ylbenzene
• styrene, .alpha.-methyl-
• «alpha»-Methylstyreen
• «alpha»-Methylstyrol
• «alpha»-Metil-stirolo
• «beta»-Phenylpropylene
• «beta»-phenylpropene
• «alpha»-Methylstyreen
• «alpha»-Methylstyrol
• «alpha»-Metil-stirolo
• «beta»-Phenylpropylene
• «beta»-phenylpropene

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_gas : Standard gas enthalpy of combustion (kJ/mol).
• 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).
• 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_fusH : Enthalpy of fusion at a given temperature (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).
• ρ_c : Critical density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• 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
PAff	864.20	kJ/mol	NIST
BasG	835.30	kJ/mol	NIST
ΔcH°gas	-5083.77	kJ/mol	NIST
ΔcH°liquid	[-5093.20; -5000.30]	kJ/mol
ΔcH°liquid	-5041.18	kJ/mol	NIST
ΔcH°liquid	-5093.20	kJ/mol	NIST
ΔcH°liquid	-5000.30	kJ/mol	NIST
ΔfG°	216.60	kJ/mol	Joback Calculated Property
ΔfH°gas	118.30 ± 1.40	kJ/mol	NIST
ΔfusH°	10.52	kJ/mol	Joback Calculated Property
ΔvapH°	[48.60; 48.90]	kJ/mol
ΔvapH°	48.90 ± 0.30	kJ/mol	NIST
ΔvapH°	48.60 ± 0.40	kJ/mol	NIST
IE	[8.18; 8.52]	eV
IE	8.30 ± 0.10	eV	NIST
IE	8.18 ± 0.04	eV	NIST
IE	8.35 ± 0.01	eV	NIST
IE	8.50	eV	NIST
IE	8.52	eV	NIST
log10WS	-2.71		Crippen Calculated Property
logPoct/wat	2.720		Crippen Calculated Property
McVol	109.610	ml/mol	McGowan Calculated Property
Pc	3550.00 ± 300.00	kPa	NIST
ρc	288.35 ± 15.36	kg/m3	NIST
Inp	[151.10; 1016.00]
Inp	948.00		NIST
Inp	973.00		NIST
Inp	960.00		NIST
Inp	958.00		NIST
Inp	966.40		NIST
Inp	980.00		NIST
Inp	968.00		NIST
Inp	1016.00		NIST
Inp	957.80		NIST
Inp	960.00		NIST
Inp	972.50		NIST
Inp	977.40		NIST
Inp	983.10		NIST
Inp	957.80		NIST
Inp	960.00		NIST
Inp	963.10		NIST
Inp	963.10		NIST
Inp	963.20		NIST
Inp	963.10		NIST
Inp	963.10		NIST
Inp	963.50		NIST
Inp	986.00		NIST
Inp	987.90		NIST
Inp	980.00		NIST
Inp	964.90		NIST
Inp	985.00		NIST
Inp	974.00		NIST
Inp	974.00		NIST
Inp	974.00		NIST
Inp	966.00		NIST
Inp	969.00		NIST
Inp	965.00		NIST
Inp	972.00		NIST
Inp	965.23		NIST
Inp	964.00		NIST
Inp	961.00		NIST
Inp	968.00		NIST
Inp	987.00		NIST
Inp	988.00		NIST
Inp	994.00		NIST
Inp	966.00		NIST
Inp	967.00		NIST
Inp	963.00		NIST
Inp	968.00		NIST
Inp	Outlier 151.10		NIST
Inp	Outlier 155.10		NIST
Inp	Outlier 155.89		NIST
Inp	948.00		NIST
Inp	980.00		NIST
Inp	972.50		NIST
Inp	963.10		NIST
Inp	963.50		NIST
Inp	966.00		NIST
I	[1294.70; 1366.00]
I	1357.20		NIST
I	1366.00		NIST
I	1320.90		NIST
I	1353.30		NIST
I	1351.40		NIST
I	1352.20		NIST
I	1363.00		NIST
I	1300.10		NIST
I	1294.70		NIST
I	1295.60		NIST
I	1326.00		NIST
I	1358.00		NIST
I	1305.00		NIST
I	1300.00		NIST
I	1325.00		NIST
I	1321.00		NIST
S°liquid	243.80	J/mol×K	NIST
Tboil	[434.15; 449.65]	K
Tboil	440.20	K	NIST
Tboil	438.60	K	NIST
Tboil	435.65 ± 10.00	K	NIST
Tboil	437.65 ± 1.50	K	NIST
Tboil	443.15 ± 10.00	K	NIST
Tboil	438.65 ± 0.40	K	NIST
Tboil	438.15 ± 2.00	K	NIST
Tboil	438.70 ± 0.30	K	NIST
Tboil	434.15 ± 3.00	K	NIST
Tboil	438.53 ± 0.30	K	NIST
Tboil	438.75 ± 0.50	K	NIST
Tboil	438.68 ± 0.30	K	NIST
Tboil	Outlier 449.65	K	NIST
Tboil	436.15 ± 3.00	K	NIST
Tboil	436.65 ± 2.00	K	NIST
Tboil	436.15 ± 3.00	K	NIST
Tc	645.00 ± 6.00	K	NIST
Tfus	[244.83; 249.94]	K
Tfus	249.05 ± 0.30	K	NIST
Tfus	247.22 ± 0.60	K	NIST
Tfus	249.94 ± 0.25	K	NIST
Tfus	244.83 ± 0.40	K	NIST
Vc	0.413	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[198.91; 268.63]	J/mol×K	[428.56; 644.81]
T(K) Ideal gas heat capacity (J/mol×K) 200 210 220 230 240 250 260 270 450 500 550 600
Cp,gas	198.91	J/mol×K	428.56	Joback Calculated Property
Cp,gas	212.51	J/mol×K	464.60	Joback Calculated Property
Cp,gas	225.28	J/mol×K	500.64	Joback Calculated Property
Cp,gas	237.23	J/mol×K	536.69	Joback Calculated Property
Cp,gas	248.41	J/mol×K	572.73	Joback Calculated Property
Cp,gas	258.87	J/mol×K	608.77	Joback Calculated Property
Cp,gas	268.63	J/mol×K	644.81	Joback Calculated Property
Cp,liquid	202.20	J/mol×K	300.00	NIST
ΔfusH	[11.92; 11.92]	kJ/mol	[250.78; 250.80]
ΔfusH	11.92	kJ/mol	250.78	NIST
ΔfusH	11.92	kJ/mol	250.80	NIST
ΔvapH	[37.70; 49.20]	kJ/mol	[294.00; 418.00]
T(K) Enthalpy of vaporization at a given temperature (kJ/mol) 38 40 42 44 46 48 50 300 350 400
ΔvapH	49.20 ± 0.30	kJ/mol	294.00	NIST
ΔvapH	44.80	kJ/mol	383.00	NIST
ΔvapH	45.90 ± 0.30	kJ/mol	399.00	NIST
ΔvapH	43.30 ± 0.30	kJ/mol	399.00	NIST
ΔvapH	40.60 ± 0.30	kJ/mol	399.00	NIST
ΔvapH	37.70 ± 0.50	kJ/mol	399.00	NIST
ΔvapH	44.30	kJ/mol	418.00	NIST
ΔfusS	47.55	J/mol×K	250.78	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[8.78e-03; 3322.31]	kPa	[249.95; 654.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			6.69992e+01
Coefficient B			-7.62172e+03
Coefficient C			-7.50767e+00
Coefficient D			3.35799e-06
Temperature range, min.			249.95
Temperature range, max.			654.00
T(K) Vapor pressure (kPa) 0 500 1000 1500 2000 2500 3000 3500 300 400 500 600
Pvap	8.78e-03	kPa	249.95	Calculated Property
Pvap	0.29	kPa	294.84	Calculated Property
Pvap	3.31	kPa	339.74	Calculated Property
Pvap	19.94	kPa	384.63	Calculated Property
Pvap	78.07	kPa	429.53	Calculated Property
Pvap	227.40	kPa	474.42	Calculated Property
Pvap	537.30	kPa	519.32	Calculated Property
Pvap	1091.40	kPa	564.21	Calculated Property
Pvap	1984.15	kPa	609.11	Calculated Property
Pvap	3322.31	kPa	654.00	Calculated Property

Similar Compounds

Find more compounds similar to «alpha»-Methylstyrene.

Mixtures

• Acetone + «alpha»-Methylstyrene + Water

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Activity coefficients at infinite dilution of organic solvents and water in 1-butyl-3-methylimidazolium dicyanamide. A literature review of hexane/hex-1-ene separation
• High selective water/butan-1-ol separation on investigation of limiting activity coefficients with [P8,8,8,8][[NTf2] ionic liquid
• Separation of binary mixtures based on limiting activity coefficients data using specific ammonium-based ionic liquid and modelling of thermodynamic functions
• Thermodynamics and activity coefficients at infinite dilution for organic solutes in the ionic liquid 1-butyl-1-methylpyrrolidinium dicyanamide
• New ionic liquid [P4,4,4,4][NTf2] in bio-butanol extraction on investigation of limiting activity coefficients
• Ammonium ionic liquids in extraction of bio-butan-1-ol from water phase using activity coefficients at infinite dilution
• Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 4-(2-methoxyethyl)-4-methylmorpholinium bis(trifluoromethylsulfonyl)-amide
• Measurements of activity coefficients at infinite dilution for organic solutes and water in the ionic liquid 1-hexyl-3-methylimidazolium tetracyanoborate
• Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 1-(2-methoxyethyl)-1-methylpiperidinium bis(trifluoromethylsulfonyl)-amide
• Measurements of activity coefficients at infinite dilution for organic solutes and water in the ionic liquid 1-ethyl-3-methylimidazolium methanesulfonate
• Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 1-(2-methoxyethyl)-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)-amide
• Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 4-(2-methoxyethyl)-4-methylmorpholinium trifluorotris(perfluoroethyl)phosphate
• Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 1-(2-methoxyethyl)- 1-methylpiperidinium trifluorotris(perfluoroethyl)phosphate
• Physicochemical properties and activity coefficients at infinite dilution for organic solutes and water in a novel bicyclic guanidinium superbase-derived protic ionic liquid
• Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 1-(2-methoxyethyl)- 1-methylpyrrolidinium trifluorotris(perfluoroethyl)phosphate
• Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 1-(2-hydroxyethyl)- 3-methylimidazolium trifluorotris(perfluoroethyl)phosphate
• Measurements of activity coefficients at infinite dilution for organic solutes and water in the ionic liquid 1-butyl-1-methylpyrrolidinium tricyanomethanide
• Thermodynamics and activity coefficients at infinite dilution for organic solutes and water in the ionic liquid 1-butyl-1-methylmorpholinium tricyanomethanide
• The study of activity coefficients at infinite dilution for organic solutes and water in 1-butyl-4-methylpyridinium dicyanamide, [B4MPy][DCA] using GLC
• Thermodynamics and activity coefficients at infinite dilution for organic solutes, water and diols in the ionic liquid choline bis(trifluoromethylsulfonyl)imide
• Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 4-(3-hydroxypropyl)-4-methylmorpholinium bis(trifluoromethylsulfonyl)-amide
• Activity coefficients at infinite dilution, physicochemical and thermodynamic properties for organic solutes and water in the ionic liquid ethyl-dimethyl-(2-methoxyethyl)ammonium trifluorotris-(perfluoroethyl)phosphate
• A 1-alkylcyanopyridinium-based ionic liquid in the separation processes
• Thermodynamics and selectivity of separation based on activity coefficients at infinite dilution of various solutes in 1-allyl-3-methylimidazolium bis{(trifluoromethyl)sulfonyl}imide ionic liquid
• Thermodynamics and limiting activity coefficients measurements for organic solutes and water in the ionic liquid 1-dodecyl-3-methylimidzolium bis(trifluoromethylsulfonyl) imide
• Separation of binary mixtures hexane/hex-1-ene, cyclohexane/cyclohexene and ethylbenzene/styrene based on limiting activity coefficients
• Separation of water/butan-1-ol based on activity coefficients at infinite dilution in 1,3-didecyl-2-methylimidazolium dicyanamide ionic liquid
• Separation of binary mixtures hexane/hex-1-ene, cyclohexane/cyclohexene and ethylbenzene/styrene based on gamma infinity data measurements
• Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid trihexyl-tetradecyl-phosphonium tricyanomethanide
• Thermodynamic study of molecular interaction-selectivity in separation processes based on limiting activity coefficients
• The use of ionic liquids for separation of binary hydrocarbons mixtures based on gamma infinity data measurements
• Liquid-Liquid Equilibrium of (Water + Acetone) with Cumene or r-Methylstyrene or Phenol at Temperatures of (323.15 and 333.15) K
• Joback Method
• KDB
• McGowan Method
• NIST Webbook

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