Chemical Properties of Benzene, 1-ethyl-2-methyl- (CAS 611-14-3)

InChI

InChI=1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3

InChI Key

HYFLWBNQFMXCPA-UHFFFAOYSA-N

Formula

C9H12

SMILES

CCc1ccccc1C

Molecular Weight¹

120.19

CAS

611-14-3

Other Names

• 1,2-Methylethylbenzene
• 1-ethyl-2-methylbenzene
• 1-methyl-2-ethylbenzene
• 2-Ethylmethylbenzene
• 2-Ethyltoluene
• 2-Methyl-1-ethylbenzene
• 2-ethyl-3-methylbenzene
• NSC 405731
• Toluene, 2-ethyl-
• Toluene, o-ethyl-
• benzene, 1-methyl-2-ethyl-
• o-Ethylmethylbenzene
• o-Methylethylbenzene
• o-ethyltoluene
• ortho-Ethyltoluene

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (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_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.
• 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	0.2940		KDB
ΔcH°liquid	-5210.17 ± 0.96	kJ/mol	NIST
ΔfG°	131.20	kJ/mol	KDB
Δc,grossH	5210.17	kJ/mol	KDB
Δc,netH	4946.074	kJ/mol	KDB
ΔfH°gas	[1.20; 1.21]	kJ/mol
ΔfH°gas	1.21	kJ/mol	KDB
ΔfH°gas	1.20 ± 1.20	kJ/mol	NIST
ΔfH°liquid	-46.50 ± 1.10	kJ/mol	NIST
ΔfusH°	12.72	kJ/mol	Joback Calculated Property
ΔvapH°	[46.90; 47.70]	kJ/mol
ΔvapH°	46.90	kJ/mol	NIST
ΔvapH°	47.70	kJ/mol	NIST
ΔvapH°	47.70	kJ/mol	NIST
IE	8.36	eV	Relay (1.0) Calculated Property
log10WS	[-3.21; -3.21]
log10WS	-3.21		Aq. Solubility Prediction
log10WS	-3.21		Estimated Solubility
logPoct/wat	2.557		Crippen Calculated Property
McVol	113.910	ml/mol	McGowan Calculated Property
NFPA Fire	2		KDB
Pc	3040.00	kPa	KDB
Inp	[150.40; 994.00]
Inp	961.54		NIST
Inp	973.50		NIST
Inp	974.60		NIST
Inp	961.00		NIST
Inp	961.00		NIST
Inp	973.20		NIST
Inp	972.50		NIST
Inp	973.60		NIST
Inp	973.00		NIST
Inp	973.00		NIST
Inp	976.00		NIST
Inp	994.00		NIST
Inp	972.00		NIST
Inp	973.00		NIST
Inp	964.00		NIST
Inp	965.00		NIST
Inp	962.00		NIST
Inp	961.10		NIST
Inp	961.60		NIST
Inp	964.60		NIST
Inp	984.00		NIST
Inp	968.00		NIST
Inp	974.00		NIST
Inp	978.00		NIST
Inp	987.00		NIST
Inp	961.10		NIST
Inp	963.40		NIST
Inp	974.20		NIST
Inp	978.00		NIST
Inp	986.70		NIST
Inp	970.00		NIST
Inp	960.50		NIST
Inp	961.10		NIST
Inp	961.10		NIST
Inp	960.50		NIST
Inp	961.10		NIST
Inp	961.10		NIST
Inp	963.40		NIST
Inp	966.00		NIST
Inp	961.70		NIST
Inp	961.70		NIST
Inp	958.25		NIST
Inp	977.00		NIST
Inp	980.00		NIST
Inp	984.00		NIST
Inp	988.00		NIST
Inp	978.00		NIST
Inp	982.00		NIST
Inp	988.00		NIST
Inp	967.00		NIST
Inp	963.20		NIST
Inp	964.70		NIST
Inp	970.00		NIST
Inp	964.00		NIST
Inp	969.30		NIST
Inp	968.80		NIST
Inp	961.20		NIST
Inp	979.60		NIST
Inp	971.00		NIST
Inp	961.00		NIST
Inp	969.00		NIST
Inp	969.00		NIST
Inp	991.00		NIST
Inp	970.20		NIST
Inp	968.00		NIST
Inp	968.00		NIST
Inp	971.00		NIST
Inp	969.80		NIST
Inp	973.30		NIST
Inp	977.20		NIST
Inp	979.70		NIST
Inp	987.90		NIST
Inp	964.00		NIST
Inp	974.50		NIST
Inp	959.90		NIST
Inp	966.40		NIST
Inp	964.40		NIST
Inp	994.00		NIST
Inp	973.30		NIST
Inp	977.20		NIST
Inp	979.70		NIST
Inp	963.29		NIST
Inp	963.66		NIST
Inp	964.00		NIST
Inp	974.00		NIST
Inp	963.68		NIST
Inp	961.00		NIST
Inp	988.16		NIST
Inp	965.00		NIST
Inp	967.00		NIST
Inp	973.00		NIST
Inp	974.00		NIST
Inp	978.00		NIST
Inp	978.00		NIST
Inp	964.00		NIST
Inp	953.00		NIST
Inp	969.00		NIST
Inp	979.00		NIST
Inp	972.00		NIST
Inp	976.00		NIST
Inp	968.00		NIST
Inp	967.00		NIST
Inp	978.00		NIST
Inp	980.00		NIST
Inp	971.00		NIST
Inp	983.50		NIST
Inp	974.00		NIST
Inp	975.00		NIST
Inp	967.00		NIST
Inp	964.00		NIST
Inp	985.50		NIST
Inp	994.00		NIST
Inp	972.00		NIST
Inp	960.00		NIST
Inp	960.00		NIST
Inp	966.00		NIST
Inp	973.00		NIST
Inp	964.00		NIST
Inp	976.00		NIST
Inp	983.00		NIST
Inp	988.00		NIST
Inp	972.00		NIST
Inp	977.00		NIST
Inp	975.00		NIST
Inp	965.00		NIST
Inp	975.00		NIST
Inp	979.00		NIST
Inp	970.00		NIST
Inp	965.00		NIST
Inp	971.00		NIST
Inp	963.00		NIST
Inp	973.00		NIST
Inp	963.00		NIST
Inp	965.30		NIST
Inp	955.00		NIST
Inp	961.00		NIST
Inp	988.00		NIST
Inp	961.00		NIST
Inp	965.00		NIST
Inp	Outlier 150.40		NIST
Inp	Outlier 155.40		NIST
Inp	Outlier 151.39		NIST
Inp	979.60		NIST
Inp	991.00		NIST
Inp	965.00		NIST
Inp	978.00		NIST
Inp	988.16		NIST
Inp	976.00		NIST
Inp	975.00		NIST
Inp	965.30		NIST
Inp	Outlier 150.40		NIST
I	[1222.00; 1307.00]
I	1230.00		NIST
I	1258.40		NIST
I	1254.40		NIST
I	1235.70		NIST
I	1255.00		NIST
I	1272.00		NIST
I	1286.70		NIST
I	1254.00		NIST
I	1272.00		NIST
I	1265.00		NIST
I	1222.00		NIST
I	1258.00		NIST
I	1265.00		NIST
I	1266.00		NIST
I	1248.00		NIST
I	1249.00		NIST
I	1268.00		NIST
I	1270.00		NIST
I	1270.00		NIST
I	1272.00		NIST
I	1285.00		NIST
I	Outlier 1300.00		NIST
I	Outlier 1307.00		NIST
I	1259.00		NIST
I	1236.00		NIST
I	1229.00		NIST
I	1231.00		NIST
I	Outlier 1307.00		NIST
I	1271.00		NIST
I	1257.00		NIST
I	1234.00		NIST
I	1268.00		NIST
I	1246.00		NIST
I	1258.00		NIST
I	1235.00		NIST
I	1258.00		NIST
I	1242.50		NIST
I	1230.00		NIST
I	1234.00		NIST
I	1258.00		NIST
I	1255.00		NIST
I	1265.00		NIST
I	1248.00		NIST
Tboil	[435.00; 438.40]	K
Tboil	438.30	K	KDB
Tboil	438.40	K	NIST
Tboil	438.32 ± 0.15	K	NIST
Tboil	438.26 ± 0.20	K	NIST
Tboil	438.31 ± 0.20	K	NIST
Tboil	438.00 ± 3.00	K	NIST
Tboil	437.60 ± 2.50	K	NIST
Tboil	438.00 ± 2.00	K	NIST
Tboil	438.29 ± 0.30	K	NIST
Tboil	438.40 ± 0.60	K	NIST
Tboil	438.30 ± 0.03	K	NIST
Tboil	437.20 ± 1.50	K	NIST
Tboil	438.00 ± 3.00	K	NIST
Tboil	438.30 ± 0.15	K	NIST
Tboil	438.29 ± 0.20	K	NIST
Tboil	438.29 ± 0.20	K	NIST
Tboil	438.29 ± 0.20	K	NIST
Tboil	438.38 ± 0.20	K	NIST
Tboil	438.40 ± 0.20	K	NIST
Tboil	438.31 ± 0.30	K	NIST
Tboil	Outlier 436.00 ± 4.00	K	NIST
Tboil	438.22 ± 0.20	K	NIST
Tboil	Outlier 435.70 ± 1.50	K	NIST
Tboil	438.10 ± 9.50	K	NIST
Tboil	Outlier 435.00 ± 2.00	K	NIST
Tc	651.00	K	KDB
Tfus	[183.79; 213.55]	K
Tfus	192.30	K	KDB
Tfus	Outlier 213.55	K	Aq. Solubility Prediction
Tfus	183.79 ± 0.40	K	NIST
Tfus	192.05 ± 0.40	K	NIST
Tfus	186.57 ± 0.30	K	NIST
Tfus	192.13 ± 0.50	K	NIST
Tfus	192.13 ± 0.10	K	NIST
Tfus	192.00 ± 0.40	K	NIST
Tfus	192.30 ± 0.20	K	NIST
Tfus	186.18 ± 0.40	K	NIST
Tfus	186.65 ± 0.20	K	NIST
Tfus	192.23 ± 0.04	K	NIST
Tfus	192.24 ± 0.03	K	NIST
Tfus	193.11 ± 0.02	K	NIST
Tfus	186.59 ± 0.03	K	NIST
Tfus	186.10 ± 0.50	K	NIST
Vc	0.460	m3/kmol	KDB
Zc	0.2583530		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[215.95; 287.04]	J/mol×K	[437.18; 645.83]
Cp,gas	215.95	J/mol×K	437.18	Joback Calculated Property
Cp,gas	229.49	J/mol×K	471.95	Joback Calculated Property
Cp,gas	242.32	J/mol×K	506.73	Joback Calculated Property
Cp,gas	254.47	J/mol×K	541.50	Joback Calculated Property
Cp,gas	265.95	J/mol×K	576.28	Joback Calculated Property
Cp,gas	276.80	J/mol×K	611.05	Joback Calculated Property
Cp,gas	287.04	J/mol×K	645.83	Joback Calculated Property
η	[0.0002191; 0.0022882]	Pa×s	[230.13; 437.18]
η	0.0022882	Pa×s	230.13	Joback Calculated Property
η	0.0011994	Pa×s	264.64	Joback Calculated Property
η	0.0007297	Pa×s	299.15	Joback Calculated Property
η	0.0004920	Pa×s	333.65	Joback Calculated Property
η	0.0003572	Pa×s	368.16	Joback Calculated Property
η	0.0002739	Pa×s	402.67	Joback Calculated Property
η	0.0002191	Pa×s	437.18	Joback Calculated Property
ΔvapH	43.60	kJ/mol	398.00	NIST
n0	[1.50208; 1.50450]		[293.15; 298.15]
n0	1.50450		293.15	Isobaric Vapor Liquid Equilibrium Data for the System of 1-Methyl-2-Ethylbenzene + 1,2,4-Trimethylbenzene at 10 kPa
n0	1.50208		298.15	KDB
ρl	881.00	kg/m3	293.00	KDB

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[317.80; 468.51]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.42140e+01
Coefficient B			-3.71914e+03
Coefficient C			-5.07440e+01
Temperature range, min.			317.80
Temperature range, max.			468.51
Pvap	1.33	kPa	317.80	Calculated Property
Pvap	3.03	kPa	334.55	Calculated Property
Pvap	6.29	kPa	351.29	Calculated Property
Pvap	12.09	kPa	368.04	Calculated Property
Pvap	21.76	kPa	384.78	Calculated Property
Pvap	37.03	kPa	401.53	Calculated Property
Pvap	60.02	kPa	418.27	Calculated Property
Pvap	93.28	kPa	435.02	Calculated Property
Pvap	139.74	kPa	451.76	Calculated Property
Pvap	202.66	kPa	468.51	Calculated Property
Pvap	[5.73e-06; 3027.77]	kPa	[192.35; 651.15]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			6.26756e+01
Coefficient B			-7.52536e+03
Coefficient C			-6.78754e+00
Coefficient D			2.05615e-06
Temperature range, min.			192.35
Temperature range, max.			651.15
Pvap	5.73e-06	kPa	192.35	Calculated Property
Pvap	4.41e-03	kPa	243.33	Calculated Property
Pvap	0.27	kPa	294.31	Calculated Property
Pvap	4.29	kPa	345.28	Calculated Property
Pvap	30.08	kPa	396.26	Calculated Property
Pvap	125.91	kPa	447.24	Calculated Property
Pvap	373.77	kPa	498.22	Calculated Property
Pvap	875.04	kPa	549.19	Calculated Property
Pvap	1730.43	kPa	600.17	Calculated Property
Pvap	3027.77	kPa	651.15	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-ethyl-2-methyl-.

Mixtures

• Benzene, 1-ethyl-2-methyl- + 1,2,4-Trimethylbenzene
• Carbon dioxide + Benzene, 1-ethyl-2-methyl-

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Isobaric Vapor Liquid Equilibrium Data for the System of 1-Methyl-2-Ethylbenzene + 1,2,4-Trimethylbenzene at 10 kPa
• Binary Diffusion Coefficients of 2-Ethyltoluene, 3-Ethyltoluene, and 4-Ethyltoluene in Supercritical Carbon Dioxide
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
These property values are available through the Cheméo API. A free account gives you an access key.