Chemical Properties of Benzene, 1-ethenyl-2-methyl- (CAS 611-15-4)

InChI

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

InChI Key

NVZWEEGUWXZOKI-UHFFFAOYSA-N

Formula

C9H10

SMILES

C=Cc1ccccc1C

Molecular Weight¹

118.18

CAS

611-15-4

Other Names

• 1-Ethenyl-2-methylbenzene
• 1-METHYL-2-ETHENYLBENZENE
• 1-Methyl-2-vinylbenzene
• 2-Ethenylmethylbenzene
• 2-METHYLSTYRENE
• 2-Methyl-1-vinylbenzene
• 2-Vinyltoluene
• O-VINYLTOLUENE
• Styrene, o-methyl-
• o-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	855.20	kJ/mol	NIST
BasG	826.30	kJ/mol	NIST
ΔfG°	215.52	kJ/mol	Joback Calculated Property
Δc,grossH	5044.65	kJ/mol	KDB
Δc,netH	4824.989	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	[8.20; 8.53]	eV
IE	8.20 ± 0.02	eV	NIST
IE	8.53	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	[147.84; 1016.00]
Inp	955.00		NIST
Inp	978.00		NIST
Inp	975.00		NIST
Inp	977.50		NIST
Inp	1000.00		NIST
Inp	982.00		NIST
Inp	972.10		NIST
Inp	974.20		NIST
Inp	987.50		NIST
Inp	993.20		NIST
Inp	1000.40		NIST
Inp	981.00		NIST
Inp	990.60		NIST
Inp	981.00		NIST
Inp	976.00		NIST
Inp	1016.00		NIST
Inp	978.00		NIST
Inp	985.00		NIST
Inp	982.00		NIST
Inp	Outlier 161.30		NIST
Inp	Outlier 155.50		NIST
Inp	Outlier 163.20		NIST
Inp	Outlier 147.84		NIST
Inp	955.00		NIST
Inp	982.00		NIST
Inp	1000.40		NIST
Inp	Outlier 161.30		NIST
I	[1327.00; 1342.20]
I	1342.20		NIST
I	1327.00		NIST
I	1342.00		NIST
I	1342.00		NIST
I	1327.00		NIST
Tboil	[433.15; 444.20]	K
Tboil	444.20	K	KDB
Tboil	433.15 ± 6.00	K	NIST
Tc	662.70	K	KDB
Tfus	[204.58; 205.00]	K
Tfus	205.00	K	KDB
Tfus	204.76 ± 0.50	K	NIST
Tfus	204.58 ± 0.10	K	NIST
Vc	0.412	m3/kmol	KDB
Zc	0.2522900		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	[36.82; 47.90]	kJ/mol	[345.00; 444.20]
ΔvapH	47.90	kJ/mol	345.00	NIST
ΔvapH	36.82	kJ/mol	444.20	KDB
n0	1.54130		298.15	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[324.64; 459.17]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.53995e+01
Coefficient B			-4.08230e+03
Coefficient C			-5.44980e+01
Temperature range, min.			324.64
Temperature range, max.			459.17
Pvap	1.33	kPa	324.64	Calculated Property
Pvap	2.95	kPa	339.59	Calculated Property
Pvap	6.01	kPa	354.54	Calculated Property
Pvap	11.46	kPa	369.48	Calculated Property
Pvap	20.62	kPa	384.43	Calculated Property
Pvap	35.26	kPa	399.38	Calculated Property
Pvap	57.65	kPa	414.33	Calculated Property
Pvap	90.64	kPa	429.27	Calculated Property
Pvap	137.64	kPa	444.22	Calculated Property
Pvap	202.67	kPa	459.17	Calculated Property
Pvap	[1.53e-05; 3470.16]	kPa	[204.58; 659.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			8.28813e+01
Coefficient B			-8.58406e+03
Coefficient C			-9.80992e+00
Coefficient D			4.53627e-06
Temperature range, min.			204.58
Temperature range, max.			659.00
Pvap	1.53e-05	kPa	204.58	Calculated Property
Pvap	7.91e-03	kPa	255.07	Calculated Property
Pvap	0.40	kPa	305.56	Calculated Property
Pvap	5.55	kPa	356.05	Calculated Property
Pvap	35.92	kPa	406.54	Calculated Property
Pvap	143.08	kPa	457.04	Calculated Property
Pvap	413.59	kPa	507.53	Calculated Property
Pvap	961.92	kPa	558.02	Calculated Property
Pvap	1925.21	kPa	608.51	Calculated Property
Pvap	3470.16	kPa	659.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-ethenyl-2-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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