Chemical Properties of Benzene, 1-ethenyl-4-methyl- (CAS 622-97-9)

InChI

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

InChI Key

JLBJTVDPSNHSKJ-UHFFFAOYSA-N

Formula

C9H10

SMILES

C=Cc1ccc(C)cc1

Molecular Weight¹

118.18

CAS

622-97-9

Other Names

• 1-Ethenyl-4-methylbenzene
• 1-METHYL-4-ETHENYLBENZENE
• 1-Methyl-4-vinylbenzene
• 1-p-Tolylethene
• 4-METHYLSTYRENE
• 4-Vinyltoluene
• P-VINYLTOLUENE
• Styrene, p-methyl-
• p-Methylstyrene
• para-Methylstyrene

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_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.
• 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).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3250		KDB
PAff	861.70	kJ/mol	NIST
BasG	832.80	kJ/mol	NIST
ΔfG°	215.52	kJ/mol	Joback Calculated Property
Δc,grossH	5042.56	kJ/mol	KDB
Δc,netH	4822.897	kJ/mol	KDB
ΔfH°gas	121.40	kJ/mol	Joback Calculated Property
ΔfusH°	11.44	kJ/mol	Joback Calculated Property
ΔvapH°	37.90	kJ/mol	Joback Calculated Property
IE	[8.10; 8.20]	eV
IE	8.10 ± 0.10	eV	NIST
IE	8.20	eV	NIST
log10WS	-2.77		Crippen Calculated Property
logPoct/wat	2.638		Crippen Calculated Property
McVol	109.610	ml/mol	McGowan Calculated Property
Pc	3370.00	kPa	KDB
Inp	[155.70; 1000.00]
Inp	982.00		NIST
Inp	979.00		NIST
Inp	980.50		NIST
Inp	965.90		NIST
Inp	1000.00		NIST
Inp	985.00		NIST
Inp	978.60		NIST
Inp	980.30		NIST
Inp	978.60		NIST
Inp	980.30		NIST
Inp	977.50		NIST
Inp	977.60		NIST
Inp	977.90		NIST
Inp	982.00		NIST
Inp	966.00		NIST
Inp	980.00		NIST
Inp	978.00		NIST
Inp	985.00		NIST
Inp	Outlier 155.70		NIST
Inp	Outlier 158.68		NIST
Inp	982.00		NIST
Inp	985.00		NIST
Inp	977.50		NIST
Inp	966.00		NIST
Inp	Outlier 155.70		NIST
I	[1348.60; 1396.80]
I	1385.20		NIST
I	1396.80		NIST
I	1348.60		NIST
I	1349.00		NIST
I	1349.00		NIST
Tboil	[442.20; 446.00]	K
Tboil	442.20	K	KDB
Tboil	446.00	K	NIST
Tboil	444.95 ± 2.00	K	NIST
Tboil	444.65 ± 3.00	K	NIST
Tboil	445.65 ± 4.00	K	NIST
Tc	659.70	K	KDB
Tfus	[202.85; 239.30]	K
Tfus	239.00	K	KDB
Tfus	239.30 ± 0.40	K	NIST
Tfus	239.00 ± 0.15	K	NIST
Tfus	235.35 ± 0.50	K	NIST
Tfus	202.85	K	NIST
Vc	0.412	m3/kmol	KDB
Zc	0.2534370		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[199.98; 266.56]	J/mol×K	[433.66; 646.99]
Cp,gas	199.98	J/mol×K	433.66	Joback Calculated Property
Cp,gas	212.82	J/mol×K	469.22	Joback Calculated Property
Cp,gas	224.92	J/mol×K	504.77	Joback Calculated Property
Cp,gas	236.32	J/mol×K	540.33	Joback Calculated Property
Cp,gas	247.04	J/mol×K	575.88	Joback Calculated Property
Cp,gas	257.10	J/mol×K	611.44	Joback Calculated Property
Cp,gas	266.56	J/mol×K	646.99	Joback Calculated Property
η	[0.0002171; 0.0020152]	Pa×s	[228.37; 433.66]
η	0.0020152	Pa×s	228.37	Joback Calculated Property
η	0.0010913	Pa×s	262.58	Joback Calculated Property
η	0.0006808	Pa×s	296.80	Joback Calculated Property
η	0.0004682	Pa×s	331.01	Joback Calculated Property
η	0.0003454	Pa×s	365.23	Joback Calculated Property
η	0.0002684	Pa×s	399.44	Joback Calculated Property
η	0.0002171	Pa×s	433.66	Joback Calculated Property
ΔvapH	[35.98; 47.60]	kJ/mol	[347.00; 442.20]
ΔvapH	47.60	kJ/mol	347.00	NIST
ΔvapH	35.98	kJ/mol	442.20	KDB
n0	1.53950		298.15	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[326.31; 475.86]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.43047e+01
Coefficient B			-3.75249e+03
Coefficient C			-5.86000e+01
Temperature range, min.			326.31
Temperature range, max.			475.86
Pvap	1.33	kPa	326.31	Calculated Property
Pvap	3.02	kPa	342.93	Calculated Property
Pvap	6.27	kPa	359.54	Calculated Property
Pvap	12.04	kPa	376.16	Calculated Property
Pvap	21.66	kPa	392.78	Calculated Property
Pvap	36.87	kPa	409.39	Calculated Property
Pvap	59.82	kPa	426.01	Calculated Property
Pvap	93.06	kPa	442.63	Calculated Property
Pvap	139.56	kPa	459.24	Calculated Property
Pvap	202.65	kPa	475.86	Calculated Property
Pvap	[1.51e-03; 3359.14]	kPa	[239.02; 665.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			8.42136e+01
Coefficient B			-8.61409e+03
Coefficient C			-1.00306e+01
Coefficient D			4.65024e-06
Temperature range, min.			239.02
Temperature range, max.			665.00
Pvap	1.51e-03	kPa	239.02	Calculated Property
Pvap	0.11	kPa	286.35	Calculated Property
Pvap	1.89	kPa	333.68	Calculated Property
Pvap	14.44	kPa	381.01	Calculated Property
Pvap	64.82	kPa	428.34	Calculated Property
Pvap	204.45	kPa	475.68	Calculated Property
Pvap	506.48	kPa	523.01	Calculated Property
Pvap	1059.93	kPa	570.34	Calculated Property
Pvap	1968.68	kPa	617.67	Calculated Property
Pvap	3359.14	kPa	665.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-ethenyl-4-methyl-.

Sources

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

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